methyl (3aR,4S,9aS,9bS)-4-(4-butan-2-ylsulfanyl-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 (3aR,4S,9aS,9bS)-4-(4-butan-2-ylsulfanyl-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 (3aR,4S,9aS,9bS)-2-ethyl-4-(3-methoxy-4-sec-butylsulfanyl-phenyl)-1,3-dioxo-4,6,7,8,9,9b-hexahydro-3aH-pyrrolo[3,4-a]indolizine-9a-carboxylate CAS Name: (3aR,4S,9aS,9bS)-4-[4-(butan-2-ylthio)-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 (3aR,4S,9aS,9bS)-4-(4-butan-2-ylsulfanyl-3-methoxyphenyl)-2-ethyl-1,3-dioxo-4,6,7,8,9,9b-hexahydro-3aH-pyrrolo[3,4-a]indolizine-9a-carboxylate Traditional Name: (3aR,4S,9aS,9bS)-2-ethyl-1,3-diketo-4-[3-methoxy-4-(sec-butylthio)phenyl]-4,6,7,8,9,9b-hexahydro-3aH-pyrrol[3,4-a]indolizine-9a-carboxylic acid methyl ester Formula: C25H34N2O5S MolecularWeight: 474.61286

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=C(C=C(C=C1)C2C3C(C(=O)N(C3=O)CC)C4(N2CCCC4)C(=O)OC)OC

Isomeric SMILES

CCC(C)SC1=C(C=C(C=C1)[C@@H]2[C@H]3[C@H](C(=O)N(C3=O)CC)[C@]4(N2CCCC4)C(=O)OC)OC

InChI

InChI=1S/C25H34N2O5S/c1-6-15(3)33-18-11-10-16(14-17(18)31-4)21-19-20(23(29)26(7-2)22(19)28)25(24(30)32-5)12-8-9-13-27(21)25/h10-11,14-15,19-21H,6-9,12-13H2,1-5H3/t15?,19-,20-,21-,25+/m1/s1