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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=CSC(=C2C(=O)OC)NC(=O)CN3CCN(CC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=CSC(=C2C(=O)OC)NC(=O)CN3CCN(CC3)C

InChI

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