2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylbutanedioic acid

Systemtic Name: 2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylbutanedioic acid Openeye Name: 2-(2-anilino-2-oxo-ethyl)sulfanylbutanedioic acid CAS Name: 2-[(2-anilino-2-oxoethyl)thio]butanedioic acid IUPAC Name: 2-(2-anilino-2-oxoethyl)sulfanylbutanedioic acid Traditional Name: 2-[(2-anilino-2-keto-ethyl)thio]succinic acid Formula: C12H13NO5S MolecularWeight: 283.30032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CSC(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CSC(CC(=O)O)C(=O)O

InChI

InChI=1S/C12H13NO5S/c14-10(13-8-4-2-1-3-5-8)7-19-9(12(17)18)6-11(15)16/h1-5,9H,6-7H2,(H,13,14)(H,15,16)(H,17,18)