(7S)-7-azanyl-3-ethoxy-1,2-dimethoxy-10-methylsulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)N)OC)OC

Isomeric SMILES

CCOC1=C(C(=C2C(=C1)CC[C@@H](C3=CC(=O)C(=CC=C32)SC)N)OC)OC

InChI

InChI=1S/C21H25NO4S/c1-5-26-17-10-12-6-8-15(22)14-11-16(23)18(27-4)9-7-13(14)19(12)21(25-3)20(17)24-2/h7,9-11,15H,5-6,8,22H2,1-4H3/t15-/m0/s1