(2E)-4-[(3-methylphenyl)methyl]-3-oxidanylidene-2-(phenylmethylidene)-1,4-benzothiazine-6-carboxylic acid

Systemtic Name: (2E)-4-[(3-methylphenyl)methyl]-3-oxidanylidene-2-(phenylmethylidene)-1,4-benzothiazine-6-carboxylic acid Openeye Name: (2E)-2-benzylidene-4-(m-tolylmethyl)-3-oxo-1,4-benzothiazine-6-carboxylic acid CAS Name: (2E)-4-[(3-methylphenyl)methyl]-3-oxo-2-(phenylmethylene)-1,4-benzothiazine-6-carboxylic acid IUPAC Name: (2E)-2-benzylidene-4-[(3-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxylic acid Traditional Name: (2E)-2-benzal-3-keto-4-(3-methylbenzyl)-1,4-benzothiazine-6-carboxylic acid Formula: C24H19NO3S MolecularWeight: 401.47756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(C=CC(=C3)C(=O)O)SC(=CC4=CC=CC=C4)C2=O

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(C=CC(=C3)C(=O)O)S/C(=C/C4=CC=CC=C4)/C2=O

InChI

InChI=1S/C24H19NO3S/c1-16-6-5-9-18(12-16)15-25-20-14-19(24(27)28)10-11-21(20)29-22(23(25)26)13-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,27,28)/b22-13+