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

Systemtic Name: ethyl 5-aminocarbonyl-4-methyl-2-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-carbamoyl-4-methyl-2-[[2-[4-(o-tolylmethyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[2-[4-[(2-methylphenyl)methyl]-1-piperazinyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-carbamoyl-4-methyl-2-[[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-carbamoyl-4-methyl-2-[[2-[4-(2-methylbenzyl)piperazino]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C23H30N4O4S MolecularWeight: 458.5737

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3C

InChI

InChI=1S/C23H30N4O4S/c1-4-31-23(30)19-16(3)20(21(24)29)32-22(19)25-18(28)14-27-11-9-26(10-12-27)13-17-8-6-5-7-15(17)2/h5-8H,4,9-14H2,1-3H3,(H2,24,29)(H,25,28)