[3-[[(7S)-2,3-dimethoxy-10-methylsulfanyl-9-oxidanylidene-4-propan-2-yloxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]carbamoyl]-5-fluoranyl-phenyl]methyl nitrate

Systemtic Name: [3-[[(7S)-2,3-dimethoxy-10-methylsulfanyl-9-oxidanylidene-4-propan-2-yloxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]carbamoyl]-5-fluoranyl-phenyl]methyl nitrate Openeye Name: [3-fluoro-5-[[(7S)-4-isopropoxy-2,3-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]carbamoyl]phenyl]methyl nitrate CAS Name: nitric acid [3-[[[(7S)-2,3-dimethoxy-10-(methylthio)-9-oxo-4-propan-2-yloxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]amino]-oxomethyl]-5-fluorophenyl]methyl ester IUPAC Name: [3-[[(7S)-2,3-dimethoxy-10-methylsulfanyl-9-oxo-4-propan-2-yloxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]carbamoyl]-5-fluorophenyl]methyl nitrate Traditional Name: nitric acid [3-fluoro-5-[[(7S)-4-isopropoxy-9-keto-2,3-dimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]carbamoyl]benzyl] ester Formula: C30H31FN2O8S MolecularWeight: 598.639143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C2CCC(C3=CC(=O)C(=CC=C3C2=CC(=C1OC)OC)SC)NC(=O)C4=CC(=CC(=C4)F)CO[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=C2CC[C@@H](C3=CC(=O)C(=CC=C3C2=CC(=C1OC)OC)SC)NC(=O)C4=CC(=CC(=C4)F)CO[N+](=O)[O-]

InChI

InChI=1S/C30H31FN2O8S/c1-16(2)41-28-21-6-8-24(32-30(35)18-10-17(11-19(31)12-18)15-40-33(36)37)23-13-25(34)27(42-5)9-7-20(23)22(21)14-26(38-3)29(28)39-4/h7,9-14,16,24H,6,8,15H2,1-5H3,(H,32,35)/t24-/m0/s1