4-(5-fluoranyl-1,3-benzothiazol-2-yl)-2-methoxy-4-oxidanyl-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-(5-fluoranyl-1,3-benzothiazol-2-yl)-2-methoxy-4-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-(5-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-2-methoxy-cyclohexa-2,5-dien-1-one CAS Name: 4-(5-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-2-methoxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-(5-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-2-methoxycyclohexa-2,5-dien-1-one Traditional Name: 4-(5-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-2-methoxy-cyclohexa-2,5-dien-1-one Formula: C14H10FNO3S MolecularWeight: 291.297503

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(C=CC1=O)(C2=NC3=C(S2)C=CC(=C3)F)O

Isomeric SMILES

COC1=CC(C=CC1=O)(C2=NC3=C(S2)C=CC(=C3)F)O

InChI

InChI=1S/C14H10FNO3S/c1-19-11-7-14(18,5-4-10(11)17)13-16-9-6-8(15)2-3-12(9)20-13/h2-7,18H,1H3