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

Systemtic Name: [2-[[3-ethoxycarbonyl-4-(2-methylpropyl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl] 2-chloranylpyridine-3-carboxylate Openeye Name: [2-[(3-ethoxycarbonyl-4-isobutyl-2-thienyl)amino]-2-oxo-ethyl] 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [2-[[3-ethoxycarbonyl-4-(2-methylpropyl)-2-thiophenyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[3-ethoxycarbonyl-4-(2-methylpropyl)thiophen-2-yl]amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid [2-[(3-carbethoxy-4-isobutyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C19H21ClN2O5S MolecularWeight: 424.89844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)COC(=O)C2=C(N=CC=C2)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)COC(=O)C2=C(N=CC=C2)Cl

InChI

InChI=1S/C19H21ClN2O5S/c1-4-26-19(25)15-12(8-11(2)3)10-28-17(15)22-14(23)9-27-18(24)13-6-5-7-21-16(13)20/h5-7,10-11H,4,8-9H2,1-3H3,(H,22,23)