ethyl 4-methyl-2-(2-methylpropanoylamino)-5-[(phenylmethyl)carbamoyl]thiophene-3-carboxylate

Systemtic Name: ethyl 4-methyl-2-(2-methylpropanoylamino)-5-[(phenylmethyl)carbamoyl]thiophene-3-carboxylate Openeye Name: ethyl 5-(benzylcarbamoyl)-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate CAS Name: 4-methyl-2-[(2-methyl-1-oxopropyl)amino]-5-[oxo-[(phenylmethyl)amino]methyl]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(benzylcarbamoyl)-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate Traditional Name: 5-(benzylcarbamoyl)-2-(isobutyrylamino)-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NCC2=CC=CC=C2)NC(=O)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NCC2=CC=CC=C2)NC(=O)C(C)C

InChI

InChI=1S/C20H24N2O4S/c1-5-26-20(25)15-13(4)16(27-19(15)22-17(23)12(2)3)18(24)21-11-14-9-7-6-8-10-14/h6-10,12H,5,11H2,1-4H3,(H,21,24)(H,22,23)