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

Systemtic Name: [2-[(5-chloranyl-3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate Openeye Name: [2-[(5-chloro-3-ethoxycarbonyl-4-phenyl-2-thienyl)amino]-2-oxo-ethyl] 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid [2-[(5-chloro-3-ethoxycarbonyl-4-phenyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-chloro-3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-2-oxoethyl] 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid [2-[(3-carbethoxy-5-chloro-4-phenyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C20H17ClN4O5S MolecularWeight: 460.89078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN4O5S/c1-2-29-19(27)14-13(11-6-4-3-5-7-11)16(21)31-18(14)25-12(26)10-30-20(28)15-17(22)24-9-8-23-15/h3-9H,2,10H2,1H3,(H2,22,24)(H,25,26)