methyl 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethanoylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(3-chlorophenyl)-1-piperazinyl]-1-oxoethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(3-chlorophenyl)piperazino]acetyl]amino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C20H24ClN3O3S MolecularWeight: 421.94086

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)C3=CC(=CC=C3)Cl)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)C3=CC(=CC=C3)Cl)C(=O)OC

InChI

InChI=1S/C20H24ClN3O3S/c1-3-16-12-17(20(26)27-2)19(28-16)22-18(25)13-23-7-9-24(10-8-23)15-6-4-5-14(21)11-15/h4-6,11-12H,3,7-10,13H2,1-2H3,(H,22,25)