[7-(ethoxycarbonylamino)-1,2-dimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-3-yl] ethyl carbonate

Systemtic Name: [7-(ethoxycarbonylamino)-1,2-dimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-3-yl] ethyl carbonate Openeye Name: [7-(ethoxycarbonylamino)-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl] ethyl carbonate CAS Name: carbonic acid [7-(ethoxycarbonylamino)-1,2-dimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl] ethyl ester IUPAC Name: [7-(ethoxycarbonylamino)-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl] ethyl carbonate Traditional Name: carbonic acid [7-(carbethoxyamino)-9-keto-1,2-dimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-3-yl] ethyl ester Formula: C25H29NO8S MolecularWeight: 503.56466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC(=O)OCC

Isomeric SMILES

CCOC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC(=O)OCC

InChI

InChI=1S/C25H29NO8S/c1-6-32-24(28)26-17-10-8-14-12-19(34-25(29)33-7-2)22(30-3)23(31-4)21(14)15-9-11-20(35-5)18(27)13-16(15)17/h9,11-13,17H,6-8,10H2,1-5H3,(H,26,28)