methyl 4-(2-chlorophenyl)-2-[2-(2-methylbutan-2-ylamino)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(2-chlorophenyl)-2-[2-(2-methylbutan-2-ylamino)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(2-chlorophenyl)-2-[[2-(1,1-dimethylpropylamino)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(2-chlorophenyl)-2-[[2-(2-methylbutan-2-ylamino)-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(2-chlorophenyl)-2-[[2-(2-methylbutan-2-ylamino)acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-(tert-amylamino)acetyl]amino]-4-(2-chlorophenyl)thiophene-3-carboxylic acid methyl ester Formula: C19H23ClN2O3S MolecularWeight: 394.91552

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NCC(=O)NC1=C(C(=CS1)C2=CC=CC=C2Cl)C(=O)OC

Isomeric SMILES

CCC(C)(C)NCC(=O)NC1=C(C(=CS1)C2=CC=CC=C2Cl)C(=O)OC

InChI

InChI=1S/C19H23ClN2O3S/c1-5-19(2,3)21-10-15(23)22-17-16(18(24)25-4)13(11-26-17)12-8-6-7-9-14(12)20/h6-9,11,21H,5,10H2,1-4H3,(H,22,23)