(3E)-3-[2-[(4-hydroxyphenyl)methyl]-4H-1,4-benzothiazin-3-ylidene]-6-methyl-pyran-2,4-dione

Systemtic Name: (3E)-3-[2-[(4-hydroxyphenyl)methyl]-4H-1,4-benzothiazin-3-ylidene]-6-methyl-pyran-2,4-dione Openeye Name: (3E)-3-[2-[(4-hydroxyphenyl)methyl]-4H-1,4-benzothiazin-3-ylidene]-6-methyl-pyran-2,4-dione CAS Name: (3E)-3-[2-[(4-hydroxyphenyl)methyl]-4H-1,4-benzothiazin-3-ylidene]-6-methylpyran-2,4-dione IUPAC Name: (3E)-3-[2-[(4-hydroxyphenyl)methyl]-4H-1,4-benzothiazin-3-ylidene]-6-methylpyran-2,4-dione Traditional Name: (3E)-3-[2-(4-hydroxybenzyl)-4H-1,4-benzothiazin-3-ylidene]-6-methyl-pyran-2,4-quinone Formula: C21H17NO4S MolecularWeight: 379.42898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C2C(SC3=CC=CC=C3N2)CC4=CC=C(C=C4)O)C(=O)O1

Isomeric SMILES

CC1=CC(=O)/C(=C\2/C(SC3=CC=CC=C3N2)CC4=CC=C(C=C4)O)/C(=O)O1

InChI

InChI=1S/C21H17NO4S/c1-12-10-16(24)19(21(25)26-12)20-18(11-13-6-8-14(23)9-7-13)27-17-5-3-2-4-15(17)22-20/h2-10,18,22-23H,11H2,1H3/b20-19+