methyl 2-[3-chloranyl-1-methyl-5-(4-methylphenyl)carbothioyl-pyrrol-2-yl]ethanoate

Systemtic Name: methyl 2-[3-chloranyl-1-methyl-5-(4-methylphenyl)carbothioyl-pyrrol-2-yl]ethanoate Openeye Name: methyl 2-[3-chloro-1-methyl-5-(4-methylbenzenecarbothioyl)pyrrol-2-yl]acetate CAS Name: 2-[3-chloro-1-methyl-5-[(4-methylphenyl)-sulfanylidenemethyl]-2-pyrrolyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-chloro-1-methyl-5-(4-methylbenzenecarbothioyl)pyrrol-2-yl]acetate Traditional Name: 2-[3-chloro-1-methyl-5-(4-methylthiobenzoyl)pyrrol-2-yl]acetic acid methyl ester Formula: C16H16ClNO2S MolecularWeight: 321.82174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=S)C2=CC(=C(N2C)CC(=O)OC)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=S)C2=CC(=C(N2C)CC(=O)OC)Cl

InChI

InChI=1S/C16H16ClNO2S/c1-10-4-6-11(7-5-10)16(21)14-8-12(17)13(18(14)2)9-15(19)20-3/h4-8H,9H2,1-3H3