N-[10-methylsulfanyl-1,2,3-tris(oxidanyl)-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide

Systemtic Name: N-[10-methylsulfanyl-1,2,3-tris(oxidanyl)-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide Openeye Name: N-(1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)benzamide CAS Name: N-[1,2,3-trihydroxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide IUPAC Name: N-(1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)benzamide Traditional Name: N-[1,2,3-trihydroxy-9-keto-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide Formula: C24H21NO5S MolecularWeight: 435.49224

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)O)O)O)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CSC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)O)O)O)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H21NO5S/c1-31-20-10-8-15-16(12-18(20)26)17(25-24(30)13-5-3-2-4-6-13)9-7-14-11-19(27)22(28)23(29)21(14)15/h2-6,8,10-12,17,27-29H,7,9H2,1H3,(H,25,30)