7-tert-butyl-2-(2-phenylethanoyl)-5,6,7,8-tetrahydro-4H-1,4-benzothiazine-3-carbonitrile

Systemtic Name: 7-tert-butyl-2-(2-phenylethanoyl)-5,6,7,8-tetrahydro-4H-1,4-benzothiazine-3-carbonitrile Openeye Name: 7-tert-butyl-2-(2-phenylacetyl)-5,6,7,8-tetrahydro-4H-1,4-benzothiazine-3-carbonitrile CAS Name: 7-tert-butyl-2-(1-oxo-2-phenylethyl)-5,6,7,8-tetrahydro-4H-1,4-benzothiazine-3-carbonitrile IUPAC Name: 7-tert-butyl-2-(2-phenylacetyl)-5,6,7,8-tetrahydro-4H-1,4-benzothiazine-3-carbonitrile Traditional Name: 7-tert-butyl-2-(2-phenylacetyl)-5,6,7,8-tetrahydro-4H-1,4-benzothiazine-3-carbonitrile Formula: C21H24N2OS MolecularWeight: 352.49306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C(N2)C#N)C(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C(N2)C#N)C(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H24N2OS/c1-21(2,3)15-9-10-16-19(12-15)25-20(17(13-22)23-16)18(24)11-14-7-5-4-6-8-14/h4-8,15,23H,9-12H2,1-3H3