methyl 2-[5-(4-chlorophenyl)carbonyl-1,4-dimethyl-2-sulfanyl-pyrrol-3-yl]ethanoate

Systemtic Name: methyl 2-[5-(4-chlorophenyl)carbonyl-1,4-dimethyl-2-sulfanyl-pyrrol-3-yl]ethanoate Openeye Name: methyl 2-[5-(4-chlorobenzoyl)-1,4-dimethyl-2-sulfanyl-pyrrol-3-yl]acetate CAS Name: 2-[5-[(4-chlorophenyl)-oxomethyl]-2-mercapto-1,4-dimethyl-3-pyrrolyl]acetic acid methyl ester IUPAC Name: methyl 2-[5-(4-chlorobenzoyl)-1,4-dimethyl-2-sulfanylpyrrol-3-yl]acetate Traditional Name: 2-[5-(4-chlorobenzoyl)-2-mercapto-1,4-dimethyl-pyrrol-3-yl]acetic acid methyl ester Formula: C16H16ClNO3S MolecularWeight: 337.82114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1CC(=O)OC)S)C)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(N(C(=C1CC(=O)OC)S)C)C(=O)C2=CC=C(C=C2)Cl

InChI

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