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

Systemtic Name: methyl 2-[3-chloranyl-1-methyl-5-(4-methylphenyl)carbothioyl-pyrrol-2-yl]propanoate Openeye Name: methyl 2-[3-chloro-1-methyl-5-(4-methylbenzenecarbothioyl)pyrrol-2-yl]propanoate CAS Name: 2-[3-chloro-1-methyl-5-[(4-methylphenyl)-sulfanylidenemethyl]-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 2-[3-chloro-1-methyl-5-(4-methylbenzenecarbothioyl)pyrrol-2-yl]propanoate Traditional Name: 2-[3-chloro-1-methyl-5-(4-methylthiobenzoyl)pyrrol-2-yl]propionic acid methyl ester Formula: C17H18ClNO2S MolecularWeight: 335.84832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClNO2S/c1-10-5-7-12(8-6-10)16(22)14-9-13(18)15(19(14)3)11(2)17(20)21-4/h5-9,11H,1-4H3