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

Systemtic Name: butyl N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]carbamate Openeye Name: butyl N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]carbamate CAS Name: N-[(7S)-1,2,3-trimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]carbamic acid butyl ester IUPAC Name: butyl N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]carbamate Traditional Name: N-[(7S)-9-keto-1,2,3-trimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]carbamic acid butyl ester Formula: C25H31NO6S MolecularWeight: 473.58174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC

Isomeric SMILES

CCCCOC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC

InChI

InChI=1S/C25H31NO6S/c1-6-7-12-32-25(28)26-18-10-8-15-13-20(29-2)23(30-3)24(31-4)22(15)16-9-11-21(33-5)19(27)14-17(16)18/h9,11,13-14,18H,6-8,10,12H2,1-5H3,(H,26,28)/t18-/m0/s1