ethyl 5-aminocarbonyl-4-methyl-2-(2-phenylbutanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 5-aminocarbonyl-4-methyl-2-(2-phenylbutanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-carbamoyl-4-methyl-2-(2-phenylbutanoylamino)thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[(1-oxo-2-phenylbutyl)amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-carbamoyl-4-methyl-2-(2-phenylbutanoylamino)thiophene-3-carboxylate Traditional Name: 5-carbamoyl-4-methyl-2-(2-phenylbutanoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=C(C(=C(S2)C(=O)N)C)C(=O)OCC

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=C(C(=C(S2)C(=O)N)C)C(=O)OCC

InChI

InChI=1S/C19H22N2O4S/c1-4-13(12-9-7-6-8-10-12)17(23)21-18-14(19(24)25-5-2)11(3)15(26-18)16(20)22/h6-10,13H,4-5H2,1-3H3,(H2,20,22)(H,21,23)