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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1CC(=O)O)Cl)C(=S)C2=CC=C(C=C2)C

Isomeric SMILES

CCN1C(=CC(=C1CC(=O)O)Cl)C(=S)C2=CC=C(C=C2)C

InChI

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