3-[[4-(2-ethoxy-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]carbamoyl]pyrazine-2-carboxylic acid

Systemtic Name: 3-[[4-(2-ethoxy-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]carbamoyl]pyrazine-2-carboxylic acid Openeye Name: 3-[[4-(2-ethoxy-2-oxo-ethyl)thiazol-2-yl]carbamoyl]pyrazine-2-carboxylic acid CAS Name: 3-[[[4-(2-ethoxy-2-oxoethyl)-2-thiazolyl]amino]-oxomethyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]pyrazine-2-carboxylic acid Traditional Name: 3-[[4-(2-ethoxy-2-keto-ethyl)thiazol-2-yl]carbamoyl]pyrazinoic acid Formula: C13H12N4O5S MolecularWeight: 336.32318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)NC(=O)C2=NC=CN=C2C(=O)O

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)NC(=O)C2=NC=CN=C2C(=O)O

InChI

InChI=1S/C13H12N4O5S/c1-2-22-8(18)5-7-6-23-13(16-7)17-11(19)9-10(12(20)21)15-4-3-14-9/h3-4,6H,2,5H2,1H3,(H,20,21)(H,16,17,19)