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

Systemtic Name: 3-[4-[(3-methylphenyl)amino]-4-oxidanylidene-butyl]sulfanylpropanoic acid Openeye Name: 3-[4-(3-methylanilino)-4-oxo-butyl]sulfanylpropanoic acid CAS Name: 3-[[4-(3-methylanilino)-4-oxobutyl]thio]propanoic acid IUPAC Name: 3-[4-(3-methylanilino)-4-oxobutyl]sulfanylpropanoic acid Traditional Name: 3-[[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)CCCSCCC(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CCCSCCC(=O)O

InChI

InChI=1S/C14H19NO3S/c1-11-4-2-5-12(10-11)15-13(16)6-3-8-19-9-7-14(17)18/h2,4-5,10H,3,6-9H2,1H3,(H,15,16)(H,17,18)