8-[(E)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)prop-2-enoyl]-4H-1,4-benzothiazin-3-one

Systemtic Name: 8-[(E)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)prop-2-enoyl]-4H-1,4-benzothiazin-3-one Openeye Name: 8-[(E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)prop-2-enoyl]-4H-1,4-benzothiazin-3-one CAS Name: 8-[(E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-oxoprop-2-enyl]-4H-1,4-benzothiazin-3-one IUPAC Name: 8-[(E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoyl]-4H-1,4-benzothiazin-3-one Traditional Name: 8-[(E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)acryloyl]-4H-1,4-benzothiazin-3-one Formula: C25H29NO3S MolecularWeight: 423.56766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=CC(=O)C2=C3C(=CC=C2)NC(=O)CS3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C/C(=O)C2=C3C(=CC=C2)NC(=O)CS3

InChI

InChI=1S/C25H29NO3S/c1-24(2,3)17-12-15(13-18(22(17)29)25(4,5)6)10-11-20(27)16-8-7-9-19-23(16)30-14-21(28)26-19/h7-13,29H,14H2,1-6H3,(H,26,28)/b11-10+