ethyl 5-(butylcarbamoyl)-2-[2-(4-chlorophenyl)ethanoylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-(butylcarbamoyl)-2-[2-(4-chlorophenyl)ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-(butylcarbamoyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[butylamino(oxo)methyl]-2-[[2-(4-chlorophenyl)-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(butylcarbamoyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(butylcarbamoyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(C(=C(S1)NC(=O)CC2=CC=C(C=C2)Cl)C(=O)OCC)C

Isomeric SMILES

CCCCNC(=O)C1=C(C(=C(S1)NC(=O)CC2=CC=C(C=C2)Cl)C(=O)OCC)C

InChI

InChI=1S/C21H25ClN2O4S/c1-4-6-11-23-19(26)18-13(3)17(21(27)28-5-2)20(29-18)24-16(25)12-14-7-9-15(22)10-8-14/h7-10H,4-6,11-12H2,1-3H3,(H,23,26)(H,24,25)