[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 2-[(2-chlorophenyl)methylsulfanyl]ethanoate

Systemtic Name: [2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 2-[(2-chlorophenyl)methylsulfanyl]ethanoate Openeye Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl] 2-[(2-chlorophenyl)methylsulfanyl]acetate CAS Name: 2-[(2-chlorophenyl)methylthio]acetic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-[(2-chlorophenyl)methylsulfanyl]acetate Traditional Name: 2-[(2-chlorobenzyl)thio]acetic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl] ester Formula: C19H20ClNO4S MolecularWeight: 393.8844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)CSCC2=CC=CC=C2Cl

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)CSCC2=CC=CC=C2Cl

InChI

InChI=1S/C19H20ClNO4S/c1-11-18(13(3)22)12(2)21-19(11)16(23)8-25-17(24)10-26-9-14-6-4-5-7-15(14)20/h4-7,21H,8-10H2,1-3H3