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

Systemtic Name: ethyl 5-methyl-2-[2-[4-(2-methylphenyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[[2-[4-(o-tolyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[2-[4-(2-methylphenyl)-1-piperazinyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[[2-[4-(o-tolyl)piperazino]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C)NC(=O)CN2CCN(CC2)C3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C)NC(=O)CN2CCN(CC2)C3=CC=CC=C3C

InChI

InChI=1S/C21H27N3O3S/c1-4-27-21(26)17-13-16(3)28-20(17)22-19(25)14-23-9-11-24(12-10-23)18-8-6-5-7-15(18)2/h5-8,13H,4,9-12,14H2,1-3H3,(H,22,25)