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

Systemtic Name: methyl 2-[2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]ethanoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]acetyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-[(2-chlorophenyl)methyl]-1-piperazinyl]-1-oxoethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(2-chlorobenzyl)piperazino]acetyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C22H28ClN3O3S MolecularWeight: 449.99402

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3Cl)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3Cl)C

InChI

InChI=1S/C22H28ClN3O3S/c1-4-17-15(2)30-21(20(17)22(28)29-3)24-19(27)14-26-11-9-25(10-12-26)13-16-7-5-6-8-18(16)23/h5-8H,4,9-14H2,1-3H3,(H,24,27)