ethyl 2-[2-(azepan-1-yl)ethanoylamino]-4-(4-chlorophenyl)-5-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(azepan-1-yl)ethanoylamino]-4-(4-chlorophenyl)-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(azepan-1-yl)acetyl]amino]-4-(4-chlorophenyl)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(1-azepanyl)-1-oxoethyl]amino]-4-(4-chlorophenyl)-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(azepan-1-yl)acetyl]amino]-4-(4-chlorophenyl)-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(azepan-1-yl)acetyl]amino]-4-(4-chlorophenyl)-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H27ClN2O3S MolecularWeight: 434.97938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)Cl)C)NC(=O)CN3CCCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)Cl)C)NC(=O)CN3CCCCCC3

InChI

InChI=1S/C22H27ClN2O3S/c1-3-28-22(27)20-19(16-8-10-17(23)11-9-16)15(2)29-21(20)24-18(26)14-25-12-6-4-5-7-13-25/h8-11H,3-7,12-14H2,1-2H3,(H,24,26)