methyl 1-[2-(4H-3,1-benzothiazin-2-ylsulfanyl)ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(4H-3,1-benzothiazin-2-ylsulfanyl)ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(4H-3,1-benzothiazin-2-ylsulfanyl)acetyl]piperidine-4-carboxylate CAS Name: 1-[2-(4H-3,1-benzothiazin-2-ylthio)-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(4H-3,1-benzothiazin-2-ylsulfanyl)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(4H-3,1-benzothiazin-2-ylthio)acetyl]isonipecotic acid methyl ester Formula: C17H20N2O3S2 MolecularWeight: 364.4823

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3CS2

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3CS2

InChI

InChI=1S/C17H20N2O3S2/c1-22-16(21)12-6-8-19(9-7-12)15(20)11-24-17-18-14-5-3-2-4-13(14)10-23-17/h2-5,12H,6-11H2,1H3