ethyl 5-ethyl-2-[(2-phenoxypyridin-3-yl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-[(2-phenoxypyridin-3-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[(2-phenoxypyridine-3-carbonyl)amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[oxo-(2-phenoxy-3-pyridinyl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[(2-phenoxypyridine-3-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[(2-phenoxynicotinoyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=C(N=CC=C2)OC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=C(N=CC=C2)OC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C21H20N2O4S/c1-3-15-13-17(21(25)26-4-2)20(28-15)23-18(24)16-11-8-12-22-19(16)27-14-9-6-5-7-10-14/h5-13H,3-4H2,1-2H3,(H,23,24)