ethyl 3-(4-chlorophenyl)carbonyl-6-methyl-1-prop-2-ynylsulfanyl-thieno[3,4-b]indolizine-4-carboxylate

Systemtic Name: ethyl 3-(4-chlorophenyl)carbonyl-6-methyl-1-prop-2-ynylsulfanyl-thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-(4-chlorobenzoyl)-6-methyl-1-prop-2-ynylsulfanyl-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-[(4-chlorophenyl)-oxomethyl]-6-methyl-1-(prop-2-ynylthio)-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-chlorobenzoyl)-6-methyl-1-prop-2-ynylsulfanylthieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-(4-chlorobenzoyl)-6-methyl-1-(propargylthio)thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C24H18ClNO3S2 MolecularWeight: 467.98762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=C(C=CN2C3=C(SC(=C13)C(=O)C4=CC=C(C=C4)Cl)SCC#C)C

Isomeric SMILES

CCOC(=O)C1=C2C=C(C=CN2C3=C(SC(=C13)C(=O)C4=CC=C(C=C4)Cl)SCC#C)C

InChI

InChI=1S/C24H18ClNO3S2/c1-4-12-30-24-20-19(22(31-24)21(27)15-6-8-16(25)9-7-15)18(23(28)29-5-2)17-13-14(3)10-11-26(17)20/h1,6-11,13H,5,12H2,2-3H3