2-[4-[(6-thiomorpholin-4-ylcarbonyl-1,4-dihydropyridin-2-yl)carbonyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[(6-thiomorpholin-4-ylcarbonyl-1,4-dihydropyridin-2-yl)carbonyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[6-(thiomorpholine-4-carbonyl)-1,4-dihydropyridine-2-carbonyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[oxo-[6-[oxo(thiomorpholin-4-yl)methyl]-1,4-dihydropyridin-2-yl]methyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[6-(thiomorpholine-4-carbonyl)-1,4-dihydropyridine-2-carbonyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[6-(thiomorpholine-4-carbonyl)-1,4-dihydropyridine-2-carbonyl]piperazino]acetic acid Formula: C17H24N4O4S MolecularWeight: 380.46186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)O)C(=O)C2=CCC=C(N2)C(=O)N3CCSCC3

Isomeric SMILES

C1CN(CCN1CC(=O)O)C(=O)C2=CCC=C(N2)C(=O)N3CCSCC3

InChI

InChI=1S/C17H24N4O4S/c22-15(23)12-19-4-6-20(7-5-19)16(24)13-2-1-3-14(18-13)17(25)21-8-10-26-11-9-21/h2-3,18H,1,4-12H2,(H,22,23)