[2-[[4-(2-methoxy-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate

Systemtic Name: [2-[[4-(2-methoxy-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate Openeye Name: [2-[[4-(2-methoxy-2-oxo-ethyl)thiazol-2-yl]amino]-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [2-[[4-(2-methoxy-2-oxoethyl)-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-keto-2-[[4-(2-keto-2-methoxy-ethyl)thiazol-2-yl]amino]ethyl] ester Formula: C13H12N4O5S MolecularWeight: 336.32318

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CSC(=N1)NC(=O)COC(=O)C2=NC=CN=C2

Isomeric SMILES

COC(=O)CC1=CSC(=N1)NC(=O)COC(=O)C2=NC=CN=C2

InChI

InChI=1S/C13H12N4O5S/c1-21-11(19)4-8-7-23-13(16-8)17-10(18)6-22-12(20)9-5-14-2-3-15-9/h2-3,5,7H,4,6H2,1H3,(H,16,17,18)