ethyl 4-(4-methoxyphenyl)-2-[2-(2-methylbutan-2-ylamino)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-methoxyphenyl)-2-[2-(2-methylbutan-2-ylamino)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(1,1-dimethylpropylamino)acetyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate CAS Name: 4-(4-methoxyphenyl)-2-[[2-(2-methylbutan-2-ylamino)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methoxyphenyl)-2-[[2-(2-methylbutan-2-ylamino)acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-(tert-amylamino)acetyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NCC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)OC)C(=O)OCC

Isomeric SMILES

CCC(C)(C)NCC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)OC)C(=O)OCC

InChI

InChI=1S/C21H28N2O4S/c1-6-21(3,4)22-12-17(24)23-19-18(20(25)27-7-2)16(13-28-19)14-8-10-15(26-5)11-9-14/h8-11,13,22H,6-7,12H2,1-5H3,(H,23,24)