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

Systemtic Name: (7S)-7-azanyl-1,3-dimethoxy-10-methylsulfanyl-2-oxidanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one Openeye Name: (7S)-7-amino-2-hydroxy-1,3-dimethoxy-10-methylsulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one CAS Name: (7S)-7-amino-2-hydroxy-1,3-dimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-9-one IUPAC Name: (7S)-7-amino-2-hydroxy-1,3-dimethoxy-10-methylsulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one Traditional Name: (7S)-7-amino-2-hydroxy-1,3-dimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-9-one Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)N)OC)O

Isomeric SMILES

COC1=C(C(=C2C(=C1)CC[C@@H](C3=CC(=O)C(=CC=C32)SC)N)OC)O

InChI

InChI=1S/C19H21NO4S/c1-23-15-8-10-4-6-13(20)12-9-14(21)16(25-3)7-5-11(12)17(10)19(24-2)18(15)22/h5,7-9,13,22H,4,6,20H2,1-3H3/t13-/m0/s1