5-[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]phenyl]-4-methyl-3-oxidanylidene-1,4-benzothiazine-2-carbonitrile

Systemtic Name: 5-[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]phenyl]-4-methyl-3-oxidanylidene-1,4-benzothiazine-2-carbonitrile Openeye Name: 5-[4-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]-4-methyl-3-oxo-1,4-benzothiazine-2-carbonitrile CAS Name: 5-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-4-methyl-3-oxo-1,4-benzothiazine-2-carbonitrile IUPAC Name: 5-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-4-methyl-3-oxo-1,4-benzothiazine-2-carbonitrile Traditional Name: 5-[4-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]-3-keto-4-methyl-1,4-benzothiazine-2-carbonitrile Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=CC=C(C=C1)C2=C3C(=CC=C2)SC(C(=O)N3C)C#N)O

Isomeric SMILES

CC(C)(C)NCC(COC1=CC=C(C=C1)C2=C3C(=CC=C2)SC(C(=O)N3C)C#N)O

InChI

InChI=1S/C23H27N3O3S/c1-23(2,3)25-13-16(27)14-29-17-10-8-15(9-11-17)18-6-5-7-19-21(18)26(4)22(28)20(12-24)30-19/h5-11,16,20,25,27H,13-14H2,1-4H3