3-[2-cyanoethyl(thiophen-2-ylmethyl)carbamoyl]pyrazine-2-carboxylic acid

Systemtic Name: 3-[2-cyanoethyl(thiophen-2-ylmethyl)carbamoyl]pyrazine-2-carboxylic acid Openeye Name: 3-[2-cyanoethyl(2-thienylmethyl)carbamoyl]pyrazine-2-carboxylic acid CAS Name: 3-[[2-cyanoethyl(thiophen-2-ylmethyl)amino]-oxomethyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-[2-cyanoethyl(thiophen-2-ylmethyl)carbamoyl]pyrazine-2-carboxylic acid Traditional Name: 3-[2-cyanoethyl(2-thenyl)carbamoyl]pyrazinoic acid Formula: C14H12N4O3S MolecularWeight: 316.33508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CN(CCC#N)C(=O)C2=NC=CN=C2C(=O)O

Isomeric SMILES

C1=CSC(=C1)CN(CCC#N)C(=O)C2=NC=CN=C2C(=O)O

InChI

InChI=1S/C14H12N4O3S/c15-4-2-7-18(9-10-3-1-8-22-10)13(19)11-12(14(20)21)17-6-5-16-11/h1,3,5-6,8H,2,7,9H2,(H,20,21)