methyl 2-[2-[4-(4-ethanoylphenyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[4-(4-ethanoylphenyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-(4-acetylphenyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-[4-(4-acetylphenyl)-1-piperazinyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(4-acetylphenyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[4-(4-acetylphenyl)piperazino]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC(=O)NC3=C(C=CS3)C(=O)OC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC(=O)NC3=C(C=CS3)C(=O)OC

InChI

InChI=1S/C20H23N3O4S/c1-14(24)15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-18(25)21-19-17(7-12-28-19)20(26)27-2/h3-7,12H,8-11,13H2,1-2H3,(H,21,25)