3-(2-aminophenyl)sulfanyl-3-(4-methylphenyl)-2-oxidanyl-propanoate

Systemtic Name: 3-(2-aminophenyl)sulfanyl-3-(4-methylphenyl)-2-oxidanyl-propanoate Openeye Name: 3-(2-aminophenyl)sulfanyl-2-hydroxy-3-(p-tolyl)propanoate CAS Name: 3-[(2-aminophenyl)thio]-2-hydroxy-3-(4-methylphenyl)propanoate IUPAC Name: 3-(2-aminophenyl)sulfanyl-2-hydroxy-3-(4-methylphenyl)propanoate Traditional Name: 3-[(2-aminophenyl)thio]-2-hydroxy-3-(p-tolyl)propionate Formula: C16H16NO3S- MolecularWeight: 302.36814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(C(=O)[O-])O)SC2=CC=CC=C2N

Isomeric SMILES

CC1=CC=C(C=C1)C(C(C(=O)[O-])O)SC2=CC=CC=C2N

InChI

InChI=1S/C16H17NO3S/c1-10-6-8-11(9-7-10)15(14(18)16(19)20)21-13-5-3-2-4-12(13)17/h2-9,14-15,18H,17H2,1H3,(H,19,20)/p-1