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

Systemtic Name: N-[10-methylsulfanyl-1,2,3-tris(oxidanyl)-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanamide Openeye Name: N-(1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide CAS Name: N-[1,2,3-trihydroxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide IUPAC Name: N-(1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide Traditional Name: N-[1,2,3-trihydroxy-9-keto-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Formula: C19H19NO5S MolecularWeight: 373.42286

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)O)O)O

Isomeric SMILES

CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)O)O)O

InChI

InChI=1S/C19H19NO5S/c1-9(21)20-13-5-3-10-7-15(23)18(24)19(25)17(10)11-4-6-16(26-2)14(22)8-12(11)13/h4,6-8,13,23-25H,3,5H2,1-2H3,(H,20,21)