3-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]pyrazine-2-carboxylic acid

Systemtic Name: 3-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]pyrazine-2-carboxylic acid Openeye Name: 3-[(2-methoxycarbonyl-3-thienyl)carbamoyl]pyrazine-2-carboxylic acid CAS Name: 3-[[(2-methoxycarbonyl-3-thiophenyl)amino]-oxomethyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]pyrazine-2-carboxylic acid Traditional Name: 3-[(2-carbomethoxy-3-thienyl)carbamoyl]pyrazinoic acid Formula: C12H9N3O5S MolecularWeight: 307.28196

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)C2=NC=CN=C2C(=O)O

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)C2=NC=CN=C2C(=O)O

InChI

InChI=1S/C12H9N3O5S/c1-20-12(19)9-6(2-5-21-9)15-10(16)7-8(11(17)18)14-4-3-13-7/h2-5H,1H3,(H,15,16)(H,17,18)