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

Systemtic Name: methyl 4-ethyl-5-methyl-2-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-5-methyl-2-[[2-[4-(o-tolylmethyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[2-[4-[(2-methylphenyl)methyl]-1-piperazinyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-5-methyl-2-[[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-[[2-[4-(2-methylbenzyl)piperazino]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3C)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3C)C

InChI

InChI=1S/C23H31N3O3S/c1-5-19-17(3)30-22(21(19)23(28)29-4)24-20(27)15-26-12-10-25(11-13-26)14-18-9-7-6-8-16(18)2/h6-9H,5,10-15H2,1-4H3,(H,24,27)