ethyl 4-ethyl-3-oxidanylidene-2-[(4-phenoxyphenyl)methyl]-1,4-benzothiazine-6-carboxylate

Systemtic Name: ethyl 4-ethyl-3-oxidanylidene-2-[(4-phenoxyphenyl)methyl]-1,4-benzothiazine-6-carboxylate Openeye Name: ethyl 4-ethyl-3-oxo-2-[(4-phenoxyphenyl)methyl]-1,4-benzothiazine-6-carboxylate CAS Name: 4-ethyl-3-oxo-2-[(4-phenoxyphenyl)methyl]-1,4-benzothiazine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 4-ethyl-3-oxo-2-[(4-phenoxyphenyl)methyl]-1,4-benzothiazine-6-carboxylate Traditional Name: 4-ethyl-3-keto-2-(4-phenoxybenzyl)-1,4-benzothiazine-6-carboxylic acid ethyl ester Formula: C26H25NO4S MolecularWeight: 447.546

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C(=O)OCC)SC(C1=O)CC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CCN1C2=C(C=CC(=C2)C(=O)OCC)SC(C1=O)CC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C26H25NO4S/c1-3-27-22-17-19(26(29)30-4-2)12-15-23(22)32-24(25(27)28)16-18-10-13-21(14-11-18)31-20-8-6-5-7-9-20/h5-15,17,24H,3-4,16H2,1-2H3