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

Systemtic Name: methyl 2-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]ethanoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]acetyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-1-oxoethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(5-chloro-2-methyl-phenyl)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)C3=C(C=CC(=C3)Cl)C)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)C3=C(C=CC(=C3)Cl)C)C

InChI

InChI=1S/C22H28ClN3O3S/c1-5-17-15(3)30-21(20(17)22(28)29-4)24-19(27)13-25-8-10-26(11-9-25)18-12-16(23)7-6-14(18)2/h6-7,12H,5,8-11,13H2,1-4H3,(H,24,27)