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

Systemtic Name: ethyl 2-[2-(azepan-1-yl)ethanoylamino]-5-chloranyl-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(azepan-1-yl)acetyl]amino]-5-chloro-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[2-(1-azepanyl)-1-oxoethyl]amino]-5-chloro-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(azepan-1-yl)acetyl]amino]-5-chloro-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(azepan-1-yl)acetyl]amino]-5-chloro-4-(p-tolyl)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)C)Cl)NC(=O)CN3CCCCCC3

Isomeric SMILES

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

InChI

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