2-(2-dimethylaminoethyl)-2-[(4-methylsulfanylphenyl)methyl]propanedioic acid

Systemtic Name: 2-(2-dimethylaminoethyl)-2-[(4-methylsulfanylphenyl)methyl]propanedioic acid Openeye Name: 2-(2-dimethylaminoethyl)-2-[(4-methylsulfanylphenyl)methyl]propanedioic acid CAS Name: 2-(2-dimethylaminoethyl)-2-[[4-(methylthio)phenyl]methyl]propanedioic acid IUPAC Name: 2-(2-dimethylaminoethyl)-2-[(4-methylsulfanylphenyl)methyl]propanedioic acid Traditional Name: 2-(2-dimethylaminoethyl)-2-[4-(methylthio)benzyl]malonic acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO4S/c1-16(2)9-8-15(13(17)18,14(19)20)10-11-4-6-12(21-3)7-5-11/h4-7H,8-10H2,1-3H3,(H,17,18)(H,19,20)