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

Systemtic Name: 2-nitro-N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide Openeye Name: 2-nitro-N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide CAS Name: 2-nitro-N-[(7S)-1,2,3-trimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide IUPAC Name: 2-nitro-N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide Traditional Name: N-[(7S)-9-keto-1,2,3-trimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]-2-nitro-benzamide Formula: C27H26N2O7S MolecularWeight: 522.56954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)C4=CC=CC=C4[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)CC[C@@H](C3=CC(=O)C(=CC=C32)SC)NC(=O)C4=CC=CC=C4[N+](=O)[O-])OC)OC

InChI

InChI=1S/C27H26N2O7S/c1-34-22-13-15-9-11-19(28-27(31)17-7-5-6-8-20(17)29(32)33)18-14-21(30)23(37-4)12-10-16(18)24(15)26(36-3)25(22)35-2/h5-8,10,12-14,19H,9,11H2,1-4H3,(H,28,31)/t19-/m0/s1