methyl 2-[2-(3-oxidanylidenepiperazin-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(3-oxidanylidenepiperazin-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(3-oxopiperazin-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(3-oxo-1-piperazinyl)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3-oxopiperazin-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(3-ketopiperazino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3CCNC(=O)C3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3CCNC(=O)C3

InChI

InChI=1S/C16H21N3O4S/c1-23-16(22)14-10-4-2-3-5-11(10)24-15(14)18-13(21)9-19-7-6-17-12(20)8-19/h2-9H2,1H3,(H,17,20)(H,18,21)