dimethyl 3-methyl-5-[3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanoylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[3-[4-(o-tolylmethyl)piperazin-1-yl]propanoylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[3-[4-[(2-methylphenyl)methyl]-1-piperazinyl]-1-oxopropyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanoylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[3-[4-(2-methylbenzyl)piperazino]propanoylamino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C24H31N3O5S MolecularWeight: 473.58504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)CCC(=O)NC3=C(C(=C(S3)C(=O)OC)C)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)CCC(=O)NC3=C(C(=C(S3)C(=O)OC)C)C(=O)OC

InChI

InChI=1S/C24H31N3O5S/c1-16-7-5-6-8-18(16)15-27-13-11-26(12-14-27)10-9-19(28)25-22-20(23(29)31-3)17(2)21(33-22)24(30)32-4/h5-8H,9-15H2,1-4H3,(H,25,28)