2-[4-[(4-methylphenyl)amino]-4-oxidanylidene-butyl]sulfanylethanoic acid

Systemtic Name: 2-[4-[(4-methylphenyl)amino]-4-oxidanylidene-butyl]sulfanylethanoic acid Openeye Name: 2-[4-(4-methylanilino)-4-oxo-butyl]sulfanylacetic acid CAS Name: 2-[[4-(4-methylanilino)-4-oxobutyl]thio]acetic acid IUPAC Name: 2-[4-(4-methylanilino)-4-oxobutyl]sulfanylacetic acid Traditional Name: 2-[[4-keto-4-(p-toluidino)butyl]thio]acetic acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CCCSCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CCCSCC(=O)O

InChI

InChI=1S/C13H17NO3S/c1-10-4-6-11(7-5-10)14-12(15)3-2-8-18-9-13(16)17/h4-7H,2-3,8-9H2,1H3,(H,14,15)(H,16,17)