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

Systemtic Name: [2-[(5-chloranyl-3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate Openeye Name: [2-[(5-chloro-3-ethoxycarbonyl-4-phenyl-2-thienyl)amino]-2-oxo-ethyl] 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-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] 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid [2-[(3-carbethoxy-5-chloro-4-phenyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C21H18ClN3O5S MolecularWeight: 459.90272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)Cl)NC(=O)COC(=O)C3=CN=C(C=N3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)Cl)NC(=O)COC(=O)C3=CN=C(C=N3)C

InChI

InChI=1S/C21H18ClN3O5S/c1-3-29-21(28)17-16(13-7-5-4-6-8-13)18(22)31-19(17)25-15(26)11-30-20(27)14-10-23-12(2)9-24-14/h4-10H,3,11H2,1-2H3,(H,25,26)