dimethyl 3-methyl-5-[3-(3-oxidanylidenepiperazin-1-yl)propanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[3-(3-oxidanylidenepiperazin-1-yl)propanoylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[3-(3-oxopiperazin-1-yl)propanoylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-3-(3-oxo-1-piperazinyl)propyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[3-(3-oxopiperazin-1-yl)propanoylamino]thiophene-2,4-dicarboxylate Traditional Name: 5-[3-(3-ketopiperazino)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C16H21N3O6S MolecularWeight: 383.41944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CCN2CCNC(=O)C2)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CCN2CCNC(=O)C2)C(=O)OC

InChI

InChI=1S/C16H21N3O6S/c1-9-12(15(22)24-2)14(26-13(9)16(23)25-3)18-10(20)4-6-19-7-5-17-11(21)8-19/h4-8H2,1-3H3,(H,17,21)(H,18,20)