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

Systemtic Name: N-[(7S)-3-methoxy-10-methylsulfanyl-1,2-bis(oxidanyl)-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanamide Openeye Name: N-[(7S)-1,2-dihydroxy-3-methoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide CAS Name: N-[(7S)-1,2-dihydroxy-3-methoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide IUPAC Name: N-[(7S)-1,2-dihydroxy-3-methoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Traditional Name: N-[(7S)-1,2-dihydroxy-9-keto-3-methoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Formula: C20H21NO5S MolecularWeight: 387.44944

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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)OC

Isomeric SMILES

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)O)O)OC

InChI

InChI=1S/C20H21NO5S/c1-10(22)21-14-6-4-11-8-16(26-2)19(24)20(25)18(11)12-5-7-17(27-3)15(23)9-13(12)14/h5,7-9,14,24-25H,4,6H2,1-3H3,(H,21,22)/t14-/m0/s1