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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C(=C(S1)C(=O)NCC2=CC=CC=C2)C)C(=O)OCC

Isomeric SMILES

CCCC(=O)NC1=C(C(=C(S1)C(=O)NCC2=CC=CC=C2)C)C(=O)OCC

InChI

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