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

Systemtic Name: 2-[1-methyl-5-(4-methylphenyl)carbothioyl-pyrrol-2-yl]ethanoic acid Openeye Name: 2-[1-methyl-5-(4-methylbenzenecarbothioyl)pyrrol-2-yl]acetic acid CAS Name: 2-[1-methyl-5-[(4-methylphenyl)-sulfanylidenemethyl]-2-pyrrolyl]acetic acid IUPAC Name: 2-[1-methyl-5-(4-methylbenzenecarbothioyl)pyrrol-2-yl]acetic acid Traditional Name: 2-[1-methyl-5-(4-methylthiobenzoyl)pyrrol-2-yl]acetic acid Formula: C15H15NO2S MolecularWeight: 273.3501

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15NO2S/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18)