1-[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxidanylidene-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]ethyl 9-propan-2-ylsulfanylnonanoate

Systemtic Name: 1-[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxidanylidene-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]ethyl 9-propan-2-ylsulfanylnonanoate Openeye Name: 1-[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]ethyl 9-isopropylsulfanylnonanoate CAS Name: 9-(propan-2-ylthio)nonanoic acid 1-[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]ethyl ester IUPAC Name: 1-[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]ethyl 9-propan-2-ylsulfanylnonanoate Traditional Name: 9-(isopropylthio)pelargonic acid 1-[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-7-keto-6,9a,11a-trimethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]ethyl ester Formula: C33H57NO3S MolecularWeight: 547.87558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCCCCCCCC(=O)OC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(=O)N4C)C)C

Isomeric SMILES

CC(C)SCCCCCCCCC(=O)OC(C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)N4C)C)C

InChI

InChI=1S/C33H57NO3S/c1-23(2)38-22-12-10-8-7-9-11-13-31(36)37-24(3)26-15-16-27-25-14-17-29-33(5,21-19-30(35)34(29)6)28(25)18-20-32(26,27)4/h23-29H,7-22H2,1-6H3/t24?,25-,26+,27-,28-,29+,32+,33+/m0/s1