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

Systemtic Name: methyl 2-[1-methyl-5-(4-methylphenyl)carbothioyl-pyrrol-2-yl]ethanoate Openeye Name: methyl 2-[1-methyl-5-(4-methylbenzenecarbothioyl)pyrrol-2-yl]acetate CAS Name: 2-[1-methyl-5-[(4-methylphenyl)-sulfanylidenemethyl]-2-pyrrolyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-methyl-5-(4-methylbenzenecarbothioyl)pyrrol-2-yl]acetate Traditional Name: 2-[1-methyl-5-(4-methylthiobenzoyl)pyrrol-2-yl]acetic acid methyl ester Formula: C16H17NO2S MolecularWeight: 287.37668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO2S/c1-11-4-6-12(7-5-11)16(20)14-9-8-13(17(14)2)10-15(18)19-3/h4-9H,10H2,1-3H3