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

Systemtic Name: 3-nitro-N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide Openeye Name: 3-nitro-N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide CAS Name: 3-nitro-N-[(7S)-1,2,3-trimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide IUPAC Name: 3-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]-3-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/c1-34-22-13-15-8-10-20(28-27(31)16-6-5-7-17(12-16)29(32)33)19-14-21(30)23(37-4)11-9-18(19)24(15)26(36-3)25(22)35-2/h5-7,9,11-14,20H,8,10H2,1-4H3,(H,28,31)/t20-/m0/s1