ethyl 1-[(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)sulfonyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)sulfonyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]piperidine-4-carboxylate CAS Name: 1-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]piperidine-4-carboxylate Traditional Name: 1-[(3-keto-4H-1,4-benzothiazin-6-yl)sulfonyl]isonipecotic acid ethyl ester Formula: C16H20N2O5S2 MolecularWeight: 384.4704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)SCC(=O)N3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)SCC(=O)N3

InChI

InChI=1S/C16H20N2O5S2/c1-2-23-16(20)11-5-7-18(8-6-11)25(21,22)12-3-4-14-13(9-12)17-15(19)10-24-14/h3-4,9,11H,2,5-8,10H2,1H3,(H,17,19)