2-[2-[1-cyanoethyl(phenyl)amino]ethylsulfanyl]butanedioic acid

Systemtic Name: 2-[2-[1-cyanoethyl(phenyl)amino]ethylsulfanyl]butanedioic acid Openeye Name: 2-[2-[N-(1-cyanoethyl)anilino]ethylsulfanyl]butanedioic acid CAS Name: 2-[2-[N-(1-cyanoethyl)anilino]ethylthio]butanedioic acid IUPAC Name: 2-[2-[N-(1-cyanoethyl)anilino]ethylsulfanyl]butanedioic acid Traditional Name: 2-[2-[N-(1-cyanoethyl)anilino]ethylthio]succinic acid Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)N(CCSC(CC(=O)O)C(=O)O)C1=CC=CC=C1

Isomeric SMILES

CC(C#N)N(CCSC(CC(=O)O)C(=O)O)C1=CC=CC=C1

InChI

InChI=1S/C15H18N2O4S/c1-11(10-16)17(12-5-3-2-4-6-12)7-8-22-13(15(20)21)9-14(18)19/h2-6,11,13H,7-9H2,1H3,(H,18,19)(H,20,21)