[2-[(3-ethoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate

Systemtic Name: [2-[(3-ethoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate Openeye Name: [2-[(3-ethoxycarbonyl-4,5-dimethyl-2-thienyl)amino]-2-oxo-ethyl] 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid [2-[(3-ethoxycarbonyl-4,5-dimethyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid [2-[(3-carbethoxy-4,5-dimethyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C16H18N4O5S MolecularWeight: 378.40292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)COC(=O)C2=NC=CN=C2N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)COC(=O)C2=NC=CN=C2N

InChI

InChI=1S/C16H18N4O5S/c1-4-24-15(22)11-8(2)9(3)26-14(11)20-10(21)7-25-16(23)12-13(17)19-6-5-18-12/h5-6H,4,7H2,1-3H3,(H2,17,19)(H,20,21)