Chemical Descriptors |
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Type | Program | Version | Descriptor |
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SMILES | ACDLabs | 12.01 | O=C(O)c3sc(cc3c1c(cccc1)C2CCC(C)CC2)c4ccccc4 |
SMILES | CACTVS | 3.370 | C[CH]1CC[CH](CC1)c2ccccc2c3cc(sc3C(O)=O)c4ccccc4 |
SMILES | OpenEye OEToolkits | 1.7.0 | CC1CCC(CC1)c2ccccc2c3cc(sc3C(=O)O)c4ccccc4 |
Canonical SMILES | CACTVS | 3.370 | C[C@H]1CC[C@@H](CC1)c2ccccc2c3cc(sc3C(O)=O)c4ccccc4 |
Canonical SMILES | OpenEye OEToolkits | 1.7.0 | CC1CCC(CC1)c2ccccc2c3cc(sc3C(=O)O)c4ccccc4 |
InChI | InChI | 1.03 | InChI=1S/C24H24O2S/c1-16-11-13-17(14-12-16)19-9-5-6-10-20(19)21-15-22(27-23(21)24(25)26)18-7-3-2-4-8-18/h2-10,15-17H,11-14H2,1H3,(H,25,26)/t16-,17- |
InChIKey | InChI | 1.03 | XAWPFEPCAOCGHU-QAQDUYKDSA-N |