[2-[(5-bromanyl-3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate

Systemtic Name: [2-[(5-bromanyl-3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate Openeye Name: [2-[(5-bromo-3-ethoxycarbonyl-4-phenyl-2-thienyl)amino]-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [2-[(5-bromo-3-ethoxycarbonyl-4-phenyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-bromo-3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-2-oxoethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-[(5-bromo-3-carbethoxy-4-phenyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C20H16BrN3O5S MolecularWeight: 490.32714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)Br)NC(=O)COC(=O)C3=NC=CN=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)Br)NC(=O)COC(=O)C3=NC=CN=C3

InChI

InChI=1S/C20H16BrN3O5S/c1-2-28-20(27)16-15(12-6-4-3-5-7-12)17(21)30-18(16)24-14(25)11-29-19(26)13-10-22-8-9-23-13/h3-10H,2,11H2,1H3,(H,24,25)