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

Systemtic Name: 2-[3-chloranyl-1-methyl-5-(4-methylphenyl)carbothioyl-pyrrol-2-yl]ethanoic acid Openeye Name: 2-[3-chloro-1-methyl-5-(4-methylbenzenecarbothioyl)pyrrol-2-yl]acetic acid CAS Name: 2-[3-chloro-1-methyl-5-[(4-methylphenyl)-sulfanylidenemethyl]-2-pyrrolyl]acetic acid IUPAC Name: 2-[3-chloro-1-methyl-5-(4-methylbenzenecarbothioyl)pyrrol-2-yl]acetic acid Traditional Name: 2-[3-chloro-1-methyl-5-(4-methylthiobenzoyl)pyrrol-2-yl]acetic acid Formula: C15H14ClNO2S MolecularWeight: 307.79516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14ClNO2S/c1-9-3-5-10(6-4-9)15(20)13-7-11(16)12(17(13)2)8-14(18)19/h3-7H,8H2,1-2H3,(H,18,19)