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

Systemtic Name: ethyl 5-[2-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]ethanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]acetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]acetyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-[4-(4-chlorobenzoyl)piperazino]acetyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H24ClN3O4S MolecularWeight: 449.95096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C21H24ClN3O4S/c1-3-29-21(28)19-14(2)12-18(30-19)23-17(26)13-24-8-10-25(11-9-24)20(27)15-4-6-16(22)7-5-15/h4-7,12H,3,8-11,13H2,1-2H3,(H,23,26)