4-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-4-oxo-butanoic acid CAS Name: 4-[methyl-[[4-(methylthio)phenyl]methyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[methyl-[4-(methylthio)benzyl]amino]butyric acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)C(=O)CCC(=O)O

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)C(=O)CCC(=O)O

InChI

InChI=1S/C13H17NO3S/c1-14(12(15)7-8-13(16)17)9-10-3-5-11(18-2)6-4-10/h3-6H,7-9H2,1-2H3,(H,16,17)