ethyl 4-(ethoxycarbonylcarbamoyl)-3-methyl-5-(2-phenylethanoylamino)thiophene-2-carboxylate

Systemtic Name: ethyl 4-(ethoxycarbonylcarbamoyl)-3-methyl-5-(2-phenylethanoylamino)thiophene-2-carboxylate Openeye Name: ethyl 4-(ethoxycarbonylcarbamoyl)-3-methyl-5-[(2-phenylacetyl)amino]thiophene-2-carboxylate CAS Name: 4-[(ethoxycarbonylamino)-oxomethyl]-3-methyl-5-[(1-oxo-2-phenylethyl)amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(ethoxycarbonylcarbamoyl)-3-methyl-5-[(2-phenylacetyl)amino]thiophene-2-carboxylate Traditional Name: 4-(carbethoxycarbamoyl)-3-methyl-5-[(2-phenylacetyl)amino]thiophene-2-carboxylic acid ethyl ester Formula: C20H22N2O6S MolecularWeight: 418.46348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CC2=CC=CC=C2)C(=O)NC(=O)OCC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CC2=CC=CC=C2)C(=O)NC(=O)OCC)C

InChI

InChI=1S/C20H22N2O6S/c1-4-27-19(25)16-12(3)15(17(24)22-20(26)28-5-2)18(29-16)21-14(23)11-13-9-7-6-8-10-13/h6-10H,4-5,11H2,1-3H3,(H,21,23)(H,22,24,26)