methyl (3aR,4S,9aS,9bS)-4-(4-hexylsulfanylphenyl)-2-methyl-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-hexylsulfanylphenyl)-2-methyl-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)-4-(4-hexylsulfanylphenyl)-2-methyl-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-(hexylthio)phenyl]-2-methyl-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-hexylsulfanylphenyl)-2-methyl-1,3-dioxo-4,6,7,8,9,9b-hexahydro-3aH-pyrrolo[3,4-a]indolizine-9a-carboxylate Traditional Name: (3aR,4S,9aS,9bS)-4-[4-(hexylthio)phenyl]-1,3-diketo-2-methyl-4,6,7,8,9,9b-hexahydro-3aH-pyrrol[3,4-a]indolizine-9a-carboxylic acid methyl ester Formula: C25H34N2O4S MolecularWeight: 458.61346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C)C4(N2CCCC4)C(=O)OC

Isomeric SMILES

CCCCCCSC1=CC=C(C=C1)[C@@H]2[C@H]3[C@H](C(=O)N(C3=O)C)[C@]4(N2CCCC4)C(=O)OC

InChI

InChI=1S/C25H34N2O4S/c1-4-5-6-9-16-32-18-12-10-17(11-13-18)21-19-20(23(29)26(2)22(19)28)25(24(30)31-3)14-7-8-15-27(21)25/h10-13,19-21H,4-9,14-16H2,1-3H3/t19-,20-,21-,25+/m1/s1