ethyl 1-[[(2E)-2-[(4-ethoxy-3-methoxy-phenyl)methylidene]-4-methyl-3-oxidanylidene-1,4-benzothiazin-6-yl]carbonyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[[(2E)-2-[(4-ethoxy-3-methoxy-phenyl)methylidene]-4-methyl-3-oxidanylidene-1,4-benzothiazin-6-yl]carbonyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(2E)-2-[(4-ethoxy-3-methoxy-phenyl)methylene]-4-methyl-3-oxo-1,4-benzothiazine-6-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[(2E)-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-methyl-3-oxo-1,4-benzothiazin-6-yl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2E)-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-methyl-3-oxo-1,4-benzothiazine-6-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[(2E)-2-(4-ethoxy-3-methoxy-benzylidene)-3-keto-4-methyl-1,4-benzothiazine-6-carbonyl]nipecotic acid ethyl ester Formula: C28H32N2O6S MolecularWeight: 524.62848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=C2C(=O)N(C3=C(S2)C=CC(=C3)C(=O)N4CCCC(C4)C(=O)OCC)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=C/2\C(=O)N(C3=C(S2)C=CC(=C3)C(=O)N4CCCC(C4)C(=O)OCC)C)OC

InChI

InChI=1S/C28H32N2O6S/c1-5-35-22-11-9-18(14-23(22)34-4)15-25-27(32)29(3)21-16-19(10-12-24(21)37-25)26(31)30-13-7-8-20(17-30)28(33)36-6-2/h9-12,14-16,20H,5-8,13,17H2,1-4H3/b25-15+