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

Systemtic Name: (7S)-7-azanyl-10-methylsulfanyl-1,2,3-tris(oxidanyl)-6,7-dihydro-5H-benzo[a]heptalen-9-one Openeye Name: (7S)-7-amino-1,2,3-trihydroxy-10-methylsulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one CAS Name: (7S)-7-amino-1,2,3-trihydroxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-9-one IUPAC Name: (7S)-7-amino-1,2,3-trihydroxy-10-methylsulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one Traditional Name: (7S)-7-amino-1,2,3-trihydroxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-9-one Formula: C17H17NO4S MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)O)O)O)N

Isomeric SMILES

CSC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)O)O)O)N

InChI

InChI=1S/C17H17NO4S/c1-23-14-5-3-9-10(7-12(14)19)11(18)4-2-8-6-13(20)16(21)17(22)15(8)9/h3,5-7,11,20-22H,2,4,18H2,1H3/t11-/m0/s1