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

Systemtic Name: methyl 2-[2-(azepan-1-yl)ethanoylamino]-4-(4-chlorophenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(azepan-1-yl)acetyl]amino]-4-(4-chlorophenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(1-azepanyl)-1-oxoethyl]amino]-4-(4-chlorophenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(azepan-1-yl)acetyl]amino]-4-(4-chlorophenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(azepan-1-yl)acetyl]amino]-4-(4-chlorophenyl)thiophene-3-carboxylic acid methyl ester Formula: C20H23ClN2O3S MolecularWeight: 406.92622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O3S/c1-26-20(25)18-16(14-6-8-15(21)9-7-14)13-27-19(18)22-17(24)12-23-10-4-2-3-5-11-23/h6-9,13H,2-5,10-12H2,1H3,(H,22,24)