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 12-propan-2-ylsulfanyldodecanoate

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 12-propan-2-ylsulfanyldodecanoate 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 12-isopropylsulfanyldodecanoate CAS Name: 12-(propan-2-ylthio)dodecanoic 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 12-propan-2-ylsulfanyldodecanoate Traditional Name: 12-(isopropylthio)lauric 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: C36H63NO3S MolecularWeight: 589.95532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)SCCCCCCCCCCCC(=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/C36H63NO3S/c1-26(2)41-25-15-13-11-9-7-8-10-12-14-16-34(39)40-27(3)29-18-19-30-28-17-20-32-36(5,24-22-33(38)37(32)6)31(28)21-23-35(29,30)4/h26-32H,7-25H2,1-6H3/t27?,28-,29+,30-,31-,32+,35+,36+/m0/s1