methyl (3aR,4S,9aS,9bS)-2-ethyl-1,3-bis(oxidanylidene)-4-(4-propylsulfanylphenyl)-4,6,7,8,9,9b-hexahydro-3aH-pyrrolo[3,4-a]indolizine-9a-carboxylate

Systemtic Name: methyl (3aR,4S,9aS,9bS)-2-ethyl-1,3-bis(oxidanylidene)-4-(4-propylsulfanylphenyl)-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-propylsulfanylphenyl)-4,6,7,8,9,9b-hexahydro-3aH-pyrrolo[3,4-a]indolizine-9a-carboxylate CAS Name: (3aR,4S,9aS,9bS)-2-ethyl-1,3-dioxo-4-[4-(propylthio)phenyl]-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)-2-ethyl-1,3-dioxo-4-(4-propylsulfanylphenyl)-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-(propylthio)phenyl]-4,6,7,8,9,9b-hexahydro-3aH-pyrrol[3,4-a]indolizine-9a-carboxylic acid methyl ester Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)CC)C4(N2CCCC4)C(=O)OC

Isomeric SMILES

CCCSC1=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/C23H30N2O4S/c1-4-14-30-16-10-8-15(9-11-16)19-17-18(21(27)24(5-2)20(17)26)23(22(28)29-3)12-6-7-13-25(19)23/h8-11,17-19H,4-7,12-14H2,1-3H3/t17-,18-,19-,23+/m1/s1