2-[(2E)-2-[[3,5-ditert-butyl-4-(phenylmethoxymethoxy)phenyl]methylidene]-3-oxidanylidene-1,4-benzothiazin-4-yl]ethanenitrile

Systemtic Name: 2-[(2E)-2-[[3,5-ditert-butyl-4-(phenylmethoxymethoxy)phenyl]methylidene]-3-oxidanylidene-1,4-benzothiazin-4-yl]ethanenitrile Openeye Name: 2-[(2E)-2-[[4-(benzyloxymethoxy)-3,5-ditert-butyl-phenyl]methylene]-3-oxo-1,4-benzothiazin-4-yl]acetonitrile CAS Name: 2-[(2E)-2-[[3,5-ditert-butyl-4-(phenylmethoxymethoxy)phenyl]methylidene]-3-oxo-1,4-benzothiazin-4-yl]acetonitrile IUPAC Name: 2-[(2E)-2-[[3,5-ditert-butyl-4-(phenylmethoxymethoxy)phenyl]methylidene]-3-oxo-1,4-benzothiazin-4-yl]acetonitrile Traditional Name: 2-[(2E)-2-[4-(benzoxymethoxy)-3,5-ditert-butyl-benzylidene]-3-keto-1,4-benzothiazin-4-yl]acetonitrile Formula: C33H36N2O3S MolecularWeight: 540.71554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1OCOCC2=CC=CC=C2)C(C)(C)C)C=C3C(=O)N(C4=CC=CC=C4S3)CC#N

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1OCOCC2=CC=CC=C2)C(C)(C)C)/C=C/3\C(=O)N(C4=CC=CC=C4S3)CC#N

InChI

InChI=1S/C33H36N2O3S/c1-32(2,3)25-18-24(20-29-31(36)35(17-16-34)27-14-10-11-15-28(27)39-29)19-26(33(4,5)6)30(25)38-22-37-21-23-12-8-7-9-13-23/h7-15,18-20H,17,21-22H2,1-6H3/b29-20+