ethyl 4-(2-chlorophenyl)-2-[2-(3-oxidanylidenepiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(2-chlorophenyl)-2-[2-(3-oxidanylidenepiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(2-chlorophenyl)-2-[[2-(3-oxopiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(2-chlorophenyl)-2-[[1-oxo-2-(3-oxo-1-piperazinyl)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-chlorophenyl)-2-[[2-(3-oxopiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(2-chlorophenyl)-2-[[2-(3-ketopiperazino)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C19H20ClN3O4S MolecularWeight: 421.8978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)CN3CCNC(=O)C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)CN3CCNC(=O)C3

InChI

InChI=1S/C19H20ClN3O4S/c1-2-27-19(26)17-13(12-5-3-4-6-14(12)20)11-28-18(17)22-16(25)10-23-8-7-21-15(24)9-23/h3-6,11H,2,7-10H2,1H3,(H,21,24)(H,22,25)