[1-[(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-azanylpyrazine-2-carboxylate

Systemtic Name: [1-[(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-azanylpyrazine-2-carboxylate Openeye Name: [2-[(3-ethoxycarbonyl-4-phenyl-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid [1-[(3-ethoxycarbonyl-4-phenyl-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid [2-[(3-carbethoxy-4-phenyl-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H20N4O5S MolecularWeight: 440.4723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C)OC(=O)C3=NC=CN=C3N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C)OC(=O)C3=NC=CN=C3N

InChI

InChI=1S/C21H20N4O5S/c1-3-29-20(27)15-14(13-7-5-4-6-8-13)11-31-19(15)25-18(26)12(2)30-21(28)16-17(22)24-10-9-23-16/h4-12H,3H2,1-2H3,(H2,22,24)(H,25,26)