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

Systemtic Name: [(E)-[4-[(8S,11R,13S,14S,17S)-13-methyl-17-oxidanyl-3-oxidanylidene-17-(propan-2-yloxymethyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]phenyl]methylideneamino] ethylsulfanylmethanoate Openeye Name: [(E)-[4-[(8S,11R,13S,14S,17S)-17-hydroxy-17-(isopropoxymethyl)-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 [(E)-[4-[(8S,11R,13S,14S,17S)-17-hydroxy-13-methyl-3-oxo-17-(propan-2-yloxymethyl)-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-hydroxy-13-methyl-3-oxo-17-(propan-2-yloxymethyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]phenyl]methylideneamino] ethylsulfanylformate Traditional Name: (ethylthio)formic acid [(E)-[4-[(8S,11R,13S,14S,17S)-17-hydroxy-17-(isopropoxymethyl)-3-keto-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]benzylidene]amino] ester Formula: C32H41NO5S MolecularWeight: 551.73664

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)ON=CC1=CC=C(C=C1)C2CC3(C(CCC3(COC(C)C)O)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(C)C)O)[C@H]4C2=C5CCC(=O)C=C5CC4)C

InChI

InChI=1S/C32H41NO5S/c1-5-39-30(35)38-33-18-21-6-8-22(9-7-21)27-17-31(4)28(14-15-32(31,36)19-37-20(2)3)26-12-10-23-16-24(34)11-13-25(23)29(26)27/h6-9,16,18,20,26-28,36H,5,10-15,17,19H2,1-4H3/b33-18+/t26-,27+,28-,31-,32+/m0/s1