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

Systemtic Name: methyl 2-[2-[4-(4-ethanoylphenyl)piperazin-1-yl]ethanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-(4-acetylphenyl)piperazin-1-yl]acetyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(4-acetylphenyl)-1-piperazinyl]-1-oxoethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(4-acetylphenyl)piperazin-1-yl]acetyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(4-acetylphenyl)piperazino]acetyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)C)C(=O)OC

InChI

InChI=1S/C21H25N3O4S/c1-14-12-18(21(27)28-3)20(29-14)22-19(26)13-23-8-10-24(11-9-23)17-6-4-16(5-7-17)15(2)25/h4-7,12H,8-11,13H2,1-3H3,(H,22,26)