[(7S)-7-acetamido-1,2-dimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-3-yl] diethyl phosphate

Systemtic Name: [(7S)-7-acetamido-1,2-dimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-3-yl] diethyl phosphate Openeye Name: [(7S)-7-acetamido-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl] diethyl phosphate CAS Name: phosphoric acid [(7S)-7-acetamido-1,2-dimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl] diethyl ester IUPAC Name: [(7S)-7-acetamido-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl] diethyl phosphate Traditional Name: phosphoric acid [(7S)-7-acetamido-9-keto-1,2-dimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-3-yl] diethyl ester Formula: C25H32NO8PS MolecularWeight: 537.562241

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(OCC)OC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)C)OC)OC

Isomeric SMILES

CCOP(=O)(OCC)OC1=C(C(=C2C(=C1)CC[C@@H](C3=CC(=O)C(=CC=C32)SC)NC(=O)C)OC)OC

InChI

InChI=1S/C25H32NO8PS/c1-7-32-35(29,33-8-2)34-21-13-16-9-11-19(26-15(3)27)18-14-20(28)22(36-6)12-10-17(18)23(16)25(31-5)24(21)30-4/h10,12-14,19H,7-9,11H2,1-6H3,(H,26,27)/t19-/m0/s1