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

Systemtic Name: methyl 3-[2-[4-(3-methylbutanoyl)piperazin-1-yl]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[4-(3-methylbutanoyl)piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(3-methylbutanoyl)piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-(4-isovalerylpiperazino)acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C17H25N3O4S MolecularWeight: 367.4631

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)CC(=O)NC2=C(SC=C2)C(=O)OC

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)CC(=O)NC2=C(SC=C2)C(=O)OC

InChI

InChI=1S/C17H25N3O4S/c1-12(2)10-15(22)20-7-5-19(6-8-20)11-14(21)18-13-4-9-25-16(13)17(23)24-3/h4,9,12H,5-8,10-11H2,1-3H3,(H,18,21)