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

Systemtic Name: [2-[[3-ethoxycarbonyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate Openeye Name: [2-[[3-ethoxycarbonyl-5-methyl-4-(p-tolyl)-2-thienyl]amino]-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [2-[[3-ethoxycarbonyl-5-methyl-4-(4-methylphenyl)-2-thiophenyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[3-ethoxycarbonyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-[[3-carbethoxy-5-methyl-4-(p-tolyl)-2-thienyl]amino]-2-keto-ethyl] ester Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O5S/c1-4-29-22(28)19-18(15-7-5-13(2)6-8-15)14(3)31-20(19)25-17(26)12-30-21(27)16-11-23-9-10-24-16/h5-11H,4,12H2,1-3H3,(H,25,26)