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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=C(C=C2)C)CC(=O)NC3=C(C=C(S3)C)C(=O)OC

Isomeric SMILES

CC1CN(CCN1C2=CC=C(C=C2)C)CC(=O)NC3=C(C=C(S3)C)C(=O)OC

InChI

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