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

Systemtic Name: ethyl 5-methyl-2-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[[2-[4-(o-tolylmethyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[2-[4-[(2-methylphenyl)methyl]-1-piperazinyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[[2-[4-(2-methylbenzyl)piperazino]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3C

InChI

InChI=1S/C22H29N3O3S/c1-4-28-22(27)19-13-17(3)29-21(19)23-20(26)15-25-11-9-24(10-12-25)14-18-8-6-5-7-16(18)2/h5-8,13H,4,9-12,14-15H2,1-3H3,(H,23,26)