ethyl 1-[[(2E)-2-[(3-methylphenyl)methylidene]-3-oxidanylidene-4H-1,4-benzothiazin-6-yl]carbonyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[(2E)-2-[(3-methylphenyl)methylidene]-3-oxidanylidene-4H-1,4-benzothiazin-6-yl]carbonyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2E)-2-(m-tolylmethylene)-3-oxo-4H-1,4-benzothiazine-6-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[(2E)-2-[(3-methylphenyl)methylidene]-3-oxo-4H-1,4-benzothiazin-6-yl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2E)-2-[(3-methylphenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[(2E)-3-keto-2-(3-methylbenzylidene)-4H-1,4-benzothiazine-6-carbonyl]isonipecotic acid ethyl ester Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC3=C(C=C2)SC(=CC4=CC(=CC=C4)C)C(=O)N3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC3=C(C=C2)S/C(=C/C4=CC(=CC=C4)C)/C(=O)N3

InChI

InChI=1S/C25H26N2O4S/c1-3-31-25(30)18-9-11-27(12-10-18)24(29)19-7-8-21-20(15-19)26-23(28)22(32-21)14-17-6-4-5-16(2)13-17/h4-8,13-15,18H,3,9-12H2,1-2H3,(H,26,28)/b22-14+