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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)CC(=O)NC3=C(C=C(S3)C)C(=O)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)CC(=O)NC3=C(C=C(S3)C)C(=O)OC)C

InChI

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