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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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