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

Systemtic Name: [2-[(2-ethoxycarbonyl-5-phenyl-thiophen-3-yl)amino]-2-oxidanylidene-ethyl] 2-chloranylpyridine-4-carboxylate Openeye Name: [2-[(2-ethoxycarbonyl-5-phenyl-3-thienyl)amino]-2-oxo-ethyl] 2-chloropyridine-4-carboxylate CAS Name: 2-chloro-4-pyridinecarboxylic acid [2-[(2-ethoxycarbonyl-5-phenyl-3-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-ethoxycarbonyl-5-phenylthiophen-3-yl)amino]-2-oxoethyl] 2-chloropyridine-4-carboxylate Traditional Name: 2-chloroisonicotinic acid [2-[(2-carbethoxy-5-phenyl-3-thienyl)amino]-2-keto-ethyl] ester Formula: C21H17ClN2O5S MolecularWeight: 444.88808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)COC(=O)C3=CC(=NC=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)COC(=O)C3=CC(=NC=C3)Cl

InChI

InChI=1S/C21H17ClN2O5S/c1-2-28-21(27)19-15(11-16(30-19)13-6-4-3-5-7-13)24-18(25)12-29-20(26)14-8-9-23-17(22)10-14/h3-11H,2,12H2,1H3,(H,24,25)