1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl]proline Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC(=O)NC2=C(C=CS2)C#N)C(=O)O

Isomeric SMILES

C1CC(N(C1)CC(=O)NC2=C(C=CS2)C#N)C(=O)O

InChI

InChI=1S/C12H13N3O3S/c13-6-8-3-5-19-11(8)14-10(16)7-15-4-1-2-9(15)12(17)18/h3,5,9H,1-2,4,7H2,(H,14,16)(H,17,18)