3-[[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)methyl]-2-oxidanyl-chromen-4-one

Systemtic Name: 3-[[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)methyl]-2-oxidanyl-chromen-4-one Openeye Name: 3-[[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-(2-hydroxy-4-oxo-chromen-3-yl)methyl]-2-hydroxy-chromen-4-one CAS Name: 3-[[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxyphenyl]-(2-hydroxy-4-oxo-1-benzopyran-3-yl)methyl]-2-hydroxy-1-benzopyran-4-one IUPAC Name: 3-[[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxyphenyl]-(2-hydroxy-4-oxochromen-3-yl)methyl]-2-hydroxychromen-4-one Traditional Name: 3-[[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxy-phenyl]-(2-hydroxy-4-keto-chromen-3-yl)methyl]-2-hydroxy-chromone Formula: C34H23NO7S2 MolecularWeight: 621.67892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=C(OC3=CC=CC=C3C2=O)O)C4=C(OC5=CC=CC=C5C4=O)O)CSC6=NC7=CC=CC=C7S6

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=C(OC3=CC=CC=C3C2=O)O)C4=C(OC5=CC=CC=C5C4=O)O)CSC6=NC7=CC=CC=C7S6

InChI

InChI=1S/C34H23NO7S2/c1-40-23-15-14-18(16-19(23)17-43-34-35-22-10-4-7-13-26(22)44-34)27(28-30(36)20-8-2-5-11-24(20)41-32(28)38)29-31(37)21-9-3-6-12-25(21)42-33(29)39/h2-16,27,38-39H,17H2,1H3