diethyl 6-(4,5-dimethyl-1-oxidanylidene-3,6-dihydro-1,2-thiazin-2-yl)azulene-1,3-dicarboxylate

Systemtic Name: diethyl 6-(4,5-dimethyl-1-oxidanylidene-3,6-dihydro-1,2-thiazin-2-yl)azulene-1,3-dicarboxylate Openeye Name: diethyl 6-(4,5-dimethyl-1-oxo-3,6-dihydrothiazin-2-yl)azulene-1,3-dicarboxylate CAS Name: 6-(4,5-dimethyl-1-oxo-3,6-dihydrothiazin-2-yl)azulene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 6-(4,5-dimethyl-1-oxo-3,6-dihydrothiazin-2-yl)azulene-1,3-dicarboxylate Traditional Name: 6-(1-keto-4,5-dimethyl-3,6-dihydrothiazin-2-yl)azulene-1,3-dicarboxylic acid diethyl ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C2C1=CC=C(C=C2)N3CC(=C(CS3=O)C)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=C2C1=CC=C(C=C2)N3CC(=C(CS3=O)C)C)C(=O)OCC

InChI

InChI=1S/C22H25NO5S/c1-5-27-21(24)19-11-20(22(25)28-6-2)18-10-8-16(7-9-17(18)19)23-12-14(3)15(4)13-29(23)26/h7-11H,5-6,12-13H2,1-4H3