2-chloranyl-5-[1-(4-methylsulfanylphenyl)ethylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[1-(4-methylsulfanylphenyl)ethylamino]benzoic acid Openeye Name: 2-chloro-5-[1-(4-methylsulfanylphenyl)ethylamino]benzoic acid CAS Name: 2-chloro-5-[1-[4-(methylthio)phenyl]ethylamino]benzoic acid IUPAC Name: 2-chloro-5-[1-(4-methylsulfanylphenyl)ethylamino]benzoic acid Traditional Name: 2-chloro-5-[1-[4-(methylthio)phenyl]ethylamino]benzoic acid Formula: C16H16ClNO2S MolecularWeight: 321.82174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)SC)NC2=CC(=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)SC)NC2=CC(=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C16H16ClNO2S/c1-10(11-3-6-13(21-2)7-4-11)18-12-5-8-15(17)14(9-12)16(19)20/h3-10,18H,1-2H3,(H,19,20)