N-(10-butylsulfanyl-1,2,3-trimethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl)ethanamide

Systemtic Name: N-(10-butylsulfanyl-1,2,3-trimethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl)ethanamide Openeye Name: N-(10-butylsulfanyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide CAS Name: N-[10-(butylthio)-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide IUPAC Name: N-(10-butylsulfanyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide Traditional Name: N-[10-(butylthio)-9-keto-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Formula: C25H31NO5S MolecularWeight: 457.58234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C

Isomeric SMILES

CCCCSC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C

InChI

InChI=1S/C25H31NO5S/c1-6-7-12-32-22-11-9-17-18(14-20(22)28)19(26-15(2)27)10-8-16-13-21(29-3)24(30-4)25(31-5)23(16)17/h9,11,13-14,19H,6-8,10,12H2,1-5H3,(H,26,27)