7-azanyl-10-butylsulfanyl-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one

Systemtic Name: 7-azanyl-10-butylsulfanyl-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one Openeye Name: 7-amino-10-butylsulfanyl-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one CAS Name: 7-amino-10-(butylthio)-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one IUPAC Name: 7-amino-10-butylsulfanyl-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one Traditional Name: 7-amino-10-(butylthio)-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one Formula: C23H29NO4S MolecularWeight: 415.54566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO4S/c1-5-6-11-29-20-10-8-15-16(13-18(20)25)17(24)9-7-14-12-19(26-2)22(27-3)23(28-4)21(14)15/h8,10,12-13,17H,5-7,9,11,24H2,1-4H3