methyl 2-[5-(4-chlorophenyl)carbonyl-1-methyl-4-methylsulfanyl-pyrrol-2-yl]ethanoate

Systemtic Name: methyl 2-[5-(4-chlorophenyl)carbonyl-1-methyl-4-methylsulfanyl-pyrrol-2-yl]ethanoate Openeye Name: methyl 2-[5-(4-chlorobenzoyl)-1-methyl-4-methylsulfanyl-pyrrol-2-yl]acetate CAS Name: 2-[5-[(4-chlorophenyl)-oxomethyl]-1-methyl-4-(methylthio)-2-pyrrolyl]acetic acid methyl ester IUPAC Name: methyl 2-[5-(4-chlorobenzoyl)-1-methyl-4-methylsulfanylpyrrol-2-yl]acetate Traditional Name: 2-[5-(4-chlorobenzoyl)-1-methyl-4-(methylthio)pyrrol-2-yl]acetic acid methyl ester Formula: C16H16ClNO3S MolecularWeight: 337.82114

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=C1C(=O)C2=CC=C(C=C2)Cl)SC)CC(=O)OC

Isomeric SMILES

CN1C(=CC(=C1C(=O)C2=CC=C(C=C2)Cl)SC)CC(=O)OC

InChI

InChI=1S/C16H16ClNO3S/c1-18-12(9-14(19)21-2)8-13(22-3)15(18)16(20)10-4-6-11(17)7-5-10/h4-8H,9H2,1-3H3