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

Systemtic Name: methyl 3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[4-(2,3-dimethylphenyl)piperazino]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)CC(=O)NC3=C(SC=C3)C(=O)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)CC(=O)NC3=C(SC=C3)C(=O)OC)C

InChI

InChI=1S/C20H25N3O3S/c1-14-5-4-6-17(15(14)2)23-10-8-22(9-11-23)13-18(24)21-16-7-12-27-19(16)20(25)26-3/h4-7,12H,8-11,13H2,1-3H3,(H,21,24)