2-[4-[(3-methylphenyl)amino]-4-oxidanylidene-butyl]sulfanylpropanoic acid

Systemtic Name: 2-[4-[(3-methylphenyl)amino]-4-oxidanylidene-butyl]sulfanylpropanoic acid Openeye Name: 2-[4-(3-methylanilino)-4-oxo-butyl]sulfanylpropanoic acid CAS Name: 2-[[4-(3-methylanilino)-4-oxobutyl]thio]propanoic acid IUPAC Name: 2-[4-(3-methylanilino)-4-oxobutyl]sulfanylpropanoic acid Traditional Name: 2-[[4-keto-4-(m-toluidino)butyl]thio]propionic acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3S/c1-10-5-3-6-12(9-10)15-13(16)7-4-8-19-11(2)14(17)18/h3,5-6,9,11H,4,7-8H2,1-2H3,(H,15,16)(H,17,18)