[(E)-[4-[(8S,11R,13S,14S,17S)-17-(ethylsulfanylmethyl)-13-methyl-17-oxidanyl-3-oxidanylidene-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]phenyl]methylideneamino] methylsulfanylmethanoate

Systemtic Name: [(E)-[4-[(8S,11R,13S,14S,17S)-17-(ethylsulfanylmethyl)-13-methyl-17-oxidanyl-3-oxidanylidene-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]phenyl]methylideneamino] methylsulfanylmethanoate Openeye Name: [(E)-[4-[(8S,11R,13S,14S,17S)-17-(ethylsulfanylmethyl)-17-hydroxy-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]phenyl]methyleneamino] methylsulfanylformate CAS Name: (methylthio)formic acid [(E)-[4-[(8S,11R,13S,14S,17S)-17-[(ethylthio)methyl]-17-hydroxy-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]phenyl]methylideneamino] ester IUPAC Name: [(E)-[4-[(8S,11R,13S,14S,17S)-17-(ethylsulfanylmethyl)-17-hydroxy-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]phenyl]methylideneamino] methylsulfanylformate Traditional Name: (methylthio)formic acid [(E)-[4-[(8S,11R,13S,14S,17S)-17-[(ethylthio)methyl]-17-hydroxy-3-keto-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]benzylidene]amino] ester Formula: C30H37NO4S2 MolecularWeight: 539.74908

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)C=NOC(=O)SC)C)O

Isomeric SMILES

CCSC[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)C5=CC=C(C=C5)/C=N/OC(=O)SC)C)O

InChI

InChI=1S/C30H37NO4S2/c1-4-37-18-30(34)14-13-26-24-11-9-21-15-22(32)10-12-23(21)27(24)25(16-29(26,30)2)20-7-5-19(6-8-20)17-31-35-28(33)36-3/h5-8,15,17,24-26,34H,4,9-14,16,18H2,1-3H3/b31-17+/t24-,25+,26-,29-,30+/m0/s1