[(Z)-[4-[(8S,11R,13S,14S,17S)-17-methoxy-17-(methoxymethyl)-13-methyl-3-oxidanylidene-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]phenyl]methylideneamino] ethylsulfanylmethanoate

Systemtic Name: [(Z)-[4-[(8S,11R,13S,14S,17S)-17-methoxy-17-(methoxymethyl)-13-methyl-3-oxidanylidene-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]phenyl]methylideneamino] ethylsulfanylmethanoate Openeye Name: [(Z)-[4-[(8S,11R,13S,14S,17S)-17-methoxy-17-(methoxymethyl)-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]phenyl]methyleneamino] ethylsulfanylformate CAS Name: (ethylthio)formic acid [(Z)-[4-[(8S,11R,13S,14S,17S)-17-methoxy-17-(methoxymethyl)-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]phenyl]methylideneamino] ester IUPAC Name: [(Z)-[4-[(8S,11R,13S,14S,17S)-17-methoxy-17-(methoxymethyl)-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]phenyl]methylideneamino] ethylsulfanylformate Traditional Name: (ethylthio)formic acid [(Z)-[4-[(8S,11R,13S,14S,17S)-3-keto-17-methoxy-17-(methoxymethyl)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]benzylidene]amino] ester Formula: C31H39NO5S MolecularWeight: 537.71006

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)ON=CC1=CC=C(C=C1)C2CC3(C(CCC3(COC)OC)C4C2=C5CCC(=O)C=C5CC4)C

Isomeric SMILES

CCSC(=O)O/N=C\C1=CC=C(C=C1)[C@H]2C[C@]3([C@@H](CC[C@]3(COC)OC)[C@H]4C2=C5CCC(=O)C=C5CC4)C

InChI

InChI=1S/C31H39NO5S/c1-5-38-29(34)37-32-18-20-6-8-21(9-7-20)26-17-30(2)27(14-15-31(30,36-4)19-35-3)25-12-10-22-16-23(33)11-13-24(22)28(25)26/h6-9,16,18,25-27H,5,10-15,17,19H2,1-4H3/b32-18-/t25-,26+,27-,30-,31+/m0/s1