methyl 2-[(2-chloranylpyridin-3-yl)carbonylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-chloranylpyridin-3-yl)carbonylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[(2-chloropyridine-3-carbonyl)amino]-4-(4-ethylphenyl)thiophene-3-carboxylate CAS Name: 2-[[(2-chloro-3-pyridinyl)-oxomethyl]amino]-4-(4-ethylphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-chloropyridine-3-carbonyl)amino]-4-(4-ethylphenyl)thiophene-3-carboxylate Traditional Name: 2-[(2-chloronicotinoyl)amino]-4-(4-ethylphenyl)thiophene-3-carboxylic acid methyl ester Formula: C20H17ClN2O3S MolecularWeight: 400.87858

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=C(N=CC=C3)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=C(N=CC=C3)Cl

InChI

InChI=1S/C20H17ClN2O3S/c1-3-12-6-8-13(9-7-12)15-11-27-19(16(15)20(25)26-2)23-18(24)14-5-4-10-22-17(14)21/h4-11H,3H2,1-2H3,(H,23,24)