diethyl 2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-7-methyl-indolizine-1,3-dicarboxylate

Systemtic Name: diethyl 2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-7-methyl-indolizine-1,3-dicarboxylate Openeye Name: diethyl 2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-7-methyl-indolizine-1,3-dicarboxylate CAS Name: 2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-7-methylindolizine-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-7-methylindolizine-1,3-dicarboxylate Traditional Name: 2-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-7-methyl-indolizine-1,3-dicarboxylic acid diethyl ester Formula: C23H22ClNO5S MolecularWeight: 459.94248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=C(C=CN2C(=C1SCC(=O)C3=CC=C(C=C3)Cl)C(=O)OCC)C

Isomeric SMILES

CCOC(=O)C1=C2C=C(C=CN2C(=C1SCC(=O)C3=CC=C(C=C3)Cl)C(=O)OCC)C

InChI

InChI=1S/C23H22ClNO5S/c1-4-29-22(27)19-17-12-14(3)10-11-25(17)20(23(28)30-5-2)21(19)31-13-18(26)15-6-8-16(24)9-7-15/h6-12H,4-5,13H2,1-3H3