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

Systemtic Name: methyl 2-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]ethanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]acetyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-1-oxoethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(5-chloro-2-methyl-phenyl)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)C3=C(C=CC(=C3)Cl)C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O3S/c1-4-16-12-17(21(27)28-3)20(29-16)23-19(26)13-24-7-9-25(10-8-24)18-11-15(22)6-5-14(18)2/h5-6,11-12H,4,7-10,13H2,1-3H3,(H,23,26)