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

Systemtic Name: ethyl 2-(cyclopropylcarbonylamino)-4-methyl-5-[(phenylmethyl)carbamoyl]thiophene-3-carboxylate Openeye Name: ethyl 5-(benzylcarbamoyl)-2-(cyclopropanecarbonylamino)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[cyclopropyl(oxo)methyl]amino]-4-methyl-5-[oxo-[(phenylmethyl)amino]methyl]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(benzylcarbamoyl)-2-(cyclopropanecarbonylamino)-4-methylthiophene-3-carboxylate Traditional Name: 5-(benzylcarbamoyl)-2-(cyclopropanecarbonylamino)-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NCC2=CC=CC=C2)NC(=O)C3CC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NCC2=CC=CC=C2)NC(=O)C3CC3

InChI

InChI=1S/C20H22N2O4S/c1-3-26-20(25)15-12(2)16(27-19(15)22-17(23)14-9-10-14)18(24)21-11-13-7-5-4-6-8-13/h4-8,14H,3,9-11H2,1-2H3,(H,21,24)(H,22,23)