N-[(7S)-2,3-dimethoxy-10-methylsulfanyl-1,4,9-tris(oxidanylidene)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanamide

Systemtic Name: N-[(7S)-2,3-dimethoxy-10-methylsulfanyl-1,4,9-tris(oxidanylidene)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanamide Openeye Name: N-[(7S)-2,3-dimethoxy-10-methylsulfanyl-1,4,9-trioxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide CAS Name: N-[(7S)-2,3-dimethoxy-10-(methylthio)-1,4,9-trioxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide IUPAC Name: N-[(7S)-2,3-dimethoxy-10-methylsulfanyl-1,4,9-trioxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Traditional Name: N-[(7S)-1,4,9-triketo-2,3-dimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Formula: C21H21NO6S MolecularWeight: 415.45954

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCC2=C(C3=CC=C(C(=O)C=C13)SC)C(=O)C(=C(C2=O)OC)OC

Isomeric SMILES

CC(=O)N[C@H]1CCC2=C(C3=CC=C(C(=O)C=C13)SC)C(=O)C(=C(C2=O)OC)OC

InChI

InChI=1S/C21H21NO6S/c1-10(23)22-14-7-5-12-17(19(26)21(28-3)20(27-2)18(12)25)11-6-8-16(29-4)15(24)9-13(11)14/h6,8-9,14H,5,7H2,1-4H3,(H,22,23)/t14-/m0/s1