S-(10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) ethanethioate

Systemtic Name: S-(10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) ethanethioate Openeye Name: S-(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) ethanethioate CAS Name: ethanethioic acid S-(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) ester IUPAC Name: S-(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) ethanethioate Traditional Name: ethanethioic acid S-(3-keto-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) ester Formula: C21H30O2S MolecularWeight: 346.5267

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C

Isomeric SMILES

CC(=O)SC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C

InChI

InChI=1S/C21H30O2S/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h12,16-19H,4-11H2,1-3H3