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

Systemtic Name: 2-[(2E)-2-[[3-tert-butyl-5-(dimethylaminomethyl)-4-oxidanyl-phenyl]methylidene]-3-oxidanylidene-1,4-benzothiazin-4-yl]ethanenitrile Openeye Name: 2-[(2E)-2-[[3-tert-butyl-5-(dimethylaminomethyl)-4-hydroxy-phenyl]methylene]-3-oxo-1,4-benzothiazin-4-yl]acetonitrile CAS Name: 2-[(2E)-2-[[3-tert-butyl-5-(dimethylaminomethyl)-4-hydroxyphenyl]methylidene]-3-oxo-1,4-benzothiazin-4-yl]acetonitrile IUPAC Name: 2-[(2E)-2-[[3-tert-butyl-5-(dimethylaminomethyl)-4-hydroxyphenyl]methylidene]-3-oxo-1,4-benzothiazin-4-yl]acetonitrile Traditional Name: 2-[(2E)-2-[3-tert-butyl-5-(dimethylaminomethyl)-4-hydroxy-benzylidene]-3-keto-1,4-benzothiazin-4-yl]acetonitrile Formula: C24H27N3O2S MolecularWeight: 421.55508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)CN(C)C)C=C2C(=O)N(C3=CC=CC=C3S2)CC#N

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)CN(C)C)/C=C/2\C(=O)N(C3=CC=CC=C3S2)CC#N

InChI

InChI=1S/C24H27N3O2S/c1-24(2,3)18-13-16(12-17(22(18)28)15-26(4)5)14-21-23(29)27(11-10-25)19-8-6-7-9-20(19)30-21/h6-9,12-14,28H,11,15H2,1-5H3/b21-14+