[1-[(3-ethoxycarbonyl-5-phenyl-thiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 6-chloranylpyridine-3-carboxylate

Systemtic Name: [1-[(3-ethoxycarbonyl-5-phenyl-thiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 6-chloranylpyridine-3-carboxylate Openeye Name: [2-[(3-ethoxycarbonyl-5-phenyl-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid [1-[(3-ethoxycarbonyl-5-phenyl-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)amino]-1-oxopropan-2-yl] 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid [2-[(3-carbethoxy-5-phenyl-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C22H19ClN2O5S MolecularWeight: 458.91466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN2O5S/c1-3-29-22(28)16-11-17(14-7-5-4-6-8-14)31-20(16)25-19(26)13(2)30-21(27)15-9-10-18(23)24-12-15/h4-13H,3H2,1-2H3,(H,25,26)