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

Systemtic Name: methyl 3-[2-[4-(2-chlorophenyl)carbonylpiperazin-1-yl]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[4-(2-chlorobenzoyl)piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[4-[(2-chlorophenyl)-oxomethyl]-1-piperazinyl]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(2-chlorobenzoyl)piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[4-(2-chlorobenzoyl)piperazino]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C19H20ClN3O4S MolecularWeight: 421.8978

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CN2CCN(CC2)C(=O)C3=CC=CC=C3Cl

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CN2CCN(CC2)C(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C19H20ClN3O4S/c1-27-19(26)17-15(6-11-28-17)21-16(24)12-22-7-9-23(10-8-22)18(25)13-4-2-3-5-14(13)20/h2-6,11H,7-10,12H2,1H3,(H,21,24)