methyl 2-[(6-chloranylpyridin-3-yl)carbonylamino]-5-ethyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(6-chloranylpyridin-3-yl)carbonylamino]-5-ethyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(6-chloropyridine-3-carbonyl)amino]-5-ethyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(6-chloro-3-pyridinyl)-oxomethyl]amino]-5-ethyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(6-chloropyridine-3-carbonyl)amino]-5-ethyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(6-chloronicotinoyl)amino]-5-ethyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C20H17ClN2O3S MolecularWeight: 400.87858

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(S1)NC(=O)C2=CN=C(C=C2)Cl)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CCC1=C(C(=C(S1)NC(=O)C2=CN=C(C=C2)Cl)C(=O)OC)C3=CC=CC=C3

InChI

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