[3-[[(7S)-2,3-dimethoxy-10-methylsulfanyl-9-oxidanylidene-4-propan-2-yloxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]carbamoyl]-2-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]-2-fluoranyl-phenyl]methyl nitrate Openeye Name: [2-fluoro-3-[[(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]-2-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]-2-fluorophenyl]methyl nitrate Traditional Name: nitric acid [2-fluoro-3-[[(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=C(C(=CC=C4)CO[N+](=O)[O-])F

Isomeric SMILES

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

InChI

InChI=1S/C30H31FN2O8S/c1-16(2)41-28-19-9-11-23(32-30(35)20-8-6-7-17(27(20)31)15-40-33(36)37)22-13-24(34)26(42-5)12-10-18(22)21(19)14-25(38-3)29(28)39-4/h6-8,10,12-14,16,23H,9,11,15H2,1-5H3,(H,32,35)/t23-/m0/s1