ethyl 5-(4-chlorophenyl)-3-[2-(4-ethanoyl-1,4-diazepan-1-yl)ethanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 5-(4-chlorophenyl)-3-[2-(4-ethanoyl-1,4-diazepan-1-yl)ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 3-[[2-(4-acetyl-1,4-diazepan-1-yl)acetyl]amino]-5-(4-chlorophenyl)thiophene-2-carboxylate CAS Name: 3-[[2-(4-acetyl-1,4-diazepan-1-yl)-1-oxoethyl]amino]-5-(4-chlorophenyl)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-acetyl-1,4-diazepan-1-yl)acetyl]amino]-5-(4-chlorophenyl)thiophene-2-carboxylate Traditional Name: 3-[[2-(4-acetyl-1,4-diazepan-1-yl)acetyl]amino]-5-(4-chlorophenyl)thiophene-2-carboxylic acid ethyl ester Formula: C22H26ClN3O4S MolecularWeight: 463.97754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Cl)NC(=O)CN3CCCN(CC3)C(=O)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Cl)NC(=O)CN3CCCN(CC3)C(=O)C

InChI

InChI=1S/C22H26ClN3O4S/c1-3-30-22(29)21-18(13-19(31-21)16-5-7-17(23)8-6-16)24-20(28)14-25-9-4-10-26(12-11-25)15(2)27/h5-8,13H,3-4,9-12,14H2,1-2H3,(H,24,28)