methyl 4,5-dimethyl-2-[2-[4-(phenylmethyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-[2-[4-(phenylmethyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[1-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-benzylpiperazino)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H27N3O3S/c1-15-16(2)28-20(19(15)21(26)27-3)22-18(25)14-24-11-9-23(10-12-24)13-17-7-5-4-6-8-17/h4-8H,9-14H2,1-3H3,(H,22,25)