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

Systemtic Name: N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-sulfanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanamide Openeye Name: N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-thioxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide CAS Name: N-[(7S)-1,2,3-trimethoxy-10-(methylthio)-9-sulfanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide IUPAC Name: N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-sulfanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Traditional Name: N-[(7S)-1,2,3-trimethoxy-10-(methylthio)-9-thioxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Formula: C22H25NO4S2 MolecularWeight: 431.5682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO4S2/c1-12(24)23-16-8-6-13-10-17(25-2)21(26-3)22(27-4)20(13)14-7-9-19(29-5)18(28)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1