methyl (3aS,4S,9aS,9bR)-4-(4-cyclohexylsulfanyl-3-methoxy-phenyl)-2-ethyl-1,3-bis(oxidanylidene)-4,6,7,8,9,9b-hexahydro-3aH-pyrrolo[3,4-a]indolizine-9a-carboxylate

Systemtic Name: methyl (3aS,4S,9aS,9bR)-4-(4-cyclohexylsulfanyl-3-methoxy-phenyl)-2-ethyl-1,3-bis(oxidanylidene)-4,6,7,8,9,9b-hexahydro-3aH-pyrrolo[3,4-a]indolizine-9a-carboxylate Openeye Name: methyl (3aS,4S,9aS,9bR)-4-(4-cyclohexylsulfanyl-3-methoxy-phenyl)-2-ethyl-1,3-dioxo-4,6,7,8,9,9b-hexahydro-3aH-pyrrolo[3,4-a]indolizine-9a-carboxylate CAS Name: (3aS,4S,9aS,9bR)-4-[4-(cyclohexylthio)-3-methoxyphenyl]-2-ethyl-1,3-dioxo-4,6,7,8,9,9b-hexahydro-3aH-pyrrolo[3,4-a]indolizine-9a-carboxylic acid methyl ester IUPAC Name: methyl (3aS,4S,9aS,9bR)-4-(4-cyclohexylsulfanyl-3-methoxyphenyl)-2-ethyl-1,3-dioxo-4,6,7,8,9,9b-hexahydro-3aH-pyrrolo[3,4-a]indolizine-9a-carboxylate Traditional Name: (3aS,4S,9aS,9bR)-4-[4-(cyclohexylthio)-3-methoxy-phenyl]-2-ethyl-1,3-diketo-4,6,7,8,9,9b-hexahydro-3aH-pyrrol[3,4-a]indolizine-9a-carboxylic acid methyl ester Formula: C27H36N2O5S MolecularWeight: 500.65014

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2C(C1=O)C3(CCCCN3C2C4=CC(=C(C=C4)SC5CCCCC5)OC)C(=O)OC

Isomeric SMILES

CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@]3(CCCCN3[C@@H]2C4=CC(=C(C=C4)SC5CCCCC5)OC)C(=O)OC

InChI

InChI=1S/C27H36N2O5S/c1-4-28-24(30)21-22(25(28)31)27(26(32)34-3)14-8-9-15-29(27)23(21)17-12-13-20(19(16-17)33-2)35-18-10-6-5-7-11-18/h12-13,16,18,21-23H,4-11,14-15H2,1-3H3/t21-,22-,23+,27-/m0/s1