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

Systemtic Name: methyl 2-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-[4-[(3-chlorophenyl)methyl]-1-piperazinyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[4-(3-chlorobenzyl)piperazino]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C19H22ClN3O3S MolecularWeight: 407.91428

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1)NC(=O)CN2CCN(CC2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

COC(=O)C1=C(SC=C1)NC(=O)CN2CCN(CC2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H22ClN3O3S/c1-26-19(25)16-5-10-27-18(16)21-17(24)13-23-8-6-22(7-9-23)12-14-3-2-4-15(20)11-14/h2-5,10-11H,6-9,12-13H2,1H3,(H,21,24)