2-azanyl-2-[3-chloranyl-5-(4-methylphenyl)carbothioyl-phenyl]ethanoic acid

Systemtic Name: 2-azanyl-2-[3-chloranyl-5-(4-methylphenyl)carbothioyl-phenyl]ethanoic acid Openeye Name: 2-amino-2-[3-chloro-5-(4-methylbenzenecarbothioyl)phenyl]acetic acid CAS Name: 2-amino-2-[3-chloro-5-[(4-methylphenyl)-sulfanylidenemethyl]phenyl]acetic acid IUPAC Name: 2-amino-2-[3-chloro-5-(4-methylbenzenecarbothioyl)phenyl]acetic acid Traditional Name: 2-amino-2-[3-chloro-5-(4-methylthiobenzoyl)phenyl]acetic acid Formula: C16H14ClNO2S MolecularWeight: 319.80586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClNO2S/c1-9-2-4-10(5-3-9)15(21)12-6-11(7-13(17)8-12)14(18)16(19)20/h2-8,14H,18H2,1H3,(H,19,20)