2-[(2-methylphenyl)amino]-2-[5-(methylsulfanylmethyl)furan-2-yl]ethanoic acid

Systemtic Name: 2-[(2-methylphenyl)amino]-2-[5-(methylsulfanylmethyl)furan-2-yl]ethanoic acid Openeye Name: 2-(2-methylanilino)-2-[5-(methylsulfanylmethyl)-2-furyl]acetic acid CAS Name: 2-(2-methylanilino)-2-[5-[(methylthio)methyl]-2-furanyl]acetic acid IUPAC Name: 2-(2-methylanilino)-2-[5-(methylsulfanylmethyl)furan-2-yl]acetic acid Traditional Name: 2-[5-[(methylthio)methyl]-2-furyl]-2-(o-toluidino)acetic acid Formula: C15H17NO3S MolecularWeight: 291.36538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(C2=CC=C(O2)CSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1NC(C2=CC=C(O2)CSC)C(=O)O

InChI

InChI=1S/C15H17NO3S/c1-10-5-3-4-6-12(10)16-14(15(17)18)13-8-7-11(19-13)9-20-2/h3-8,14,16H,9H2,1-2H3,(H,17,18)