2-[2-[ethyl-(3-methylphenyl)amino]ethylsulfanyl]butanedioic acid

Systemtic Name: 2-[2-[ethyl-(3-methylphenyl)amino]ethylsulfanyl]butanedioic acid Openeye Name: 2-[2-(N-ethyl-3-methyl-anilino)ethylsulfanyl]butanedioic acid CAS Name: 2-[2-(N-ethyl-3-methylanilino)ethylthio]butanedioic acid IUPAC Name: 2-[2-(N-ethyl-3-methylanilino)ethylsulfanyl]butanedioic acid Traditional Name: 2-[2-(N-ethyl-3-methyl-anilino)ethylthio]succinic acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCSC(CC(=O)O)C(=O)O)C1=CC=CC(=C1)C

Isomeric SMILES

CCN(CCSC(CC(=O)O)C(=O)O)C1=CC=CC(=C1)C

InChI

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