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

Systemtic Name: N-[(7S)-1,2-dimethoxy-10-methylsulfanyl-4-nitro-3-oxidanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanamide Openeye Name: N-[(7S)-3-hydroxy-1,2-dimethoxy-10-methylsulfanyl-4-nitro-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide CAS Name: N-[(7S)-3-hydroxy-1,2-dimethoxy-10-(methylthio)-4-nitro-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide IUPAC Name: N-[(7S)-3-hydroxy-1,2-dimethoxy-10-methylsulfanyl-4-nitro-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Traditional Name: N-[(7S)-3-hydroxy-9-keto-1,2-dimethoxy-10-(methylthio)-4-nitro-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Formula: C21H22N2O7S MolecularWeight: 446.47358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCC2=C(C3=CC=C(C(=O)C=C13)SC)C(=C(C(=C2[N+](=O)[O-])O)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O7S/c1-10(24)22-14-7-5-12-17(11-6-8-16(31-4)15(25)9-13(11)14)20(29-2)21(30-3)19(26)18(12)23(27)28/h6,8-9,14,26H,5,7H2,1-4H3,(H,22,24)/t14-/m0/s1