2-[[(4-methylphenyl)amino]-phenyl-methyl]sulfanylethanoic acid

Systemtic Name: 2-[[(4-methylphenyl)amino]-phenyl-methyl]sulfanylethanoic acid Openeye Name: 2-[(4-methylanilino)-phenyl-methyl]sulfanylacetic acid CAS Name: 2-[[(4-methylanilino)-phenylmethyl]thio]acetic acid IUPAC Name: 2-[(4-methylanilino)-phenylmethyl]sulfanylacetic acid Traditional Name: 2-[[phenyl(p-toluidino)methyl]thio]acetic acid Formula: C16H17NO2S MolecularWeight: 287.37668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(C2=CC=CC=C2)SCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC(C2=CC=CC=C2)SCC(=O)O

InChI

InChI=1S/C16H17NO2S/c1-12-7-9-14(10-8-12)17-16(20-11-15(18)19)13-5-3-2-4-6-13/h2-10,16-17H,11H2,1H3,(H,18,19)