methyl (3aR,4S,9aS,9bS)-4-(4-butan-2-ylsulfanylphenyl)-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-ylsulfanylphenyl)-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-1,3-dioxo-4-(4-sec-butylsulfanylphenyl)-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)phenyl]-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-ylsulfanylphenyl)-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-[4-(sec-butylthio)phenyl]-4,6,7,8,9,9b-hexahydro-3aH-pyrrol[3,4-a]indolizine-9a-carboxylic acid methyl ester Formula: C24H32N2O4S MolecularWeight: 444.58688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O4S/c1-5-15(3)31-17-11-9-16(10-12-17)20-18-19(22(28)25(6-2)21(18)27)24(23(29)30-4)13-7-8-14-26(20)24/h9-12,15,18-20H,5-8,13-14H2,1-4H3/t15?,18-,19-,20-,24+/m1/s1