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

Systemtic Name: ethyl 4-[[(2E)-2-[(4-ethoxy-3-methoxy-phenyl)methylidene]-4-methyl-3-oxidanylidene-1,4-benzothiazin-6-yl]carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(2E)-2-[(4-ethoxy-3-methoxy-phenyl)methylene]-4-methyl-3-oxo-1,4-benzothiazine-6-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[(2E)-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-methyl-3-oxo-1,4-benzothiazin-6-yl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2E)-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-methyl-3-oxo-1,4-benzothiazine-6-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[(2E)-2-(4-ethoxy-3-methoxy-benzylidene)-3-keto-4-methyl-1,4-benzothiazine-6-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C27H31N3O6S MolecularWeight: 525.61654

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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)N4CCN(CC4)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)N4CCN(CC4)C(=O)OCC)C)OC

InChI

InChI=1S/C27H31N3O6S/c1-5-35-21-9-7-18(15-22(21)34-4)16-24-26(32)28(3)20-17-19(8-10-23(20)37-24)25(31)29-11-13-30(14-12-29)27(33)36-6-2/h7-10,15-17H,5-6,11-14H2,1-4H3/b24-16+