2-[(2E)-2-[(3,5-dimethyl-4-oxidanyl-phenyl)methylidene]-3-oxidanylidene-1,4-benzothiazin-4-yl]ethanenitrile

Systemtic Name: 2-[(2E)-2-[(3,5-dimethyl-4-oxidanyl-phenyl)methylidene]-3-oxidanylidene-1,4-benzothiazin-4-yl]ethanenitrile Openeye Name: 2-[(2E)-2-[(4-hydroxy-3,5-dimethyl-phenyl)methylene]-3-oxo-1,4-benzothiazin-4-yl]acetonitrile CAS Name: 2-[(2E)-2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]acetonitrile IUPAC Name: 2-[(2E)-2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]acetonitrile Traditional Name: 2-[(2E)-2-(4-hydroxy-3,5-dimethyl-benzylidene)-3-keto-1,4-benzothiazin-4-yl]acetonitrile Formula: C19H16N2O2S MolecularWeight: 336.40754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C=C2C(=O)N(C3=CC=CC=C3S2)CC#N

Isomeric SMILES

CC1=CC(=CC(=C1O)C)/C=C/2\C(=O)N(C3=CC=CC=C3S2)CC#N

InChI

InChI=1S/C19H16N2O2S/c1-12-9-14(10-13(2)18(12)22)11-17-19(23)21(8-7-20)15-5-3-4-6-16(15)24-17/h3-6,9-11,22H,8H2,1-2H3/b17-11+