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

Systemtic Name: methyl 2-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-[(3-chlorophenyl)methyl]-1-piperazinyl]-1-oxoethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(3-chlorobenzyl)piperazino]acetyl]amino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C21H26ClN3O3S MolecularWeight: 435.96744

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)CC3=CC(=CC=C3)Cl)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)CC3=CC(=CC=C3)Cl)C(=O)OC

InChI

InChI=1S/C21H26ClN3O3S/c1-3-17-12-18(21(27)28-2)20(29-17)23-19(26)14-25-9-7-24(8-10-25)13-15-5-4-6-16(22)11-15/h4-6,11-12H,3,7-10,13-14H2,1-2H3,(H,23,26)