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

Systemtic Name: N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-4-sulfanyl-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanamide Openeye Name: N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-4-sulfanyl-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide CAS Name: N-[(7S)-4-mercapto-1,2,3-trimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide IUPAC Name: N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-4-sulfanyl-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Traditional Name: N-[(7S)-9-keto-4-mercapto-1,2,3-trimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Formula: C22H25NO5S2 MolecularWeight: 447.5676

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCC2=C(C3=CC=C(C(=O)C=C13)SC)C(=C(C(=C2S)OC)OC)OC

Isomeric SMILES

CC(=O)N[C@H]1CCC2=C(C3=CC=C(C(=O)C=C13)SC)C(=C(C(=C2S)OC)OC)OC

InChI

InChI=1S/C22H25NO5S2/c1-11(24)23-15-8-6-13-18(12-7-9-17(30-5)16(25)10-14(12)15)19(26-2)20(27-3)21(28-4)22(13)29/h7,9-10,15,29H,6,8H2,1-5H3,(H,23,24)/t15-/m0/s1