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

Systemtic Name: 7-azanyl-10-ethylsulfanyl-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one Openeye Name: 7-amino-10-ethylsulfanyl-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one CAS Name: 7-amino-10-(ethylthio)-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one IUPAC Name: 7-amino-10-ethylsulfanyl-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one Traditional Name: 7-amino-10-(ethylthio)-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)N

Isomeric SMILES

CCSC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)N

InChI

InChI=1S/C21H25NO4S/c1-5-27-18-9-7-13-14(11-16(18)23)15(22)8-6-12-10-17(24-2)20(25-3)21(26-4)19(12)13/h7,9-11,15H,5-6,8,22H2,1-4H3