methyl (6aR,10aS)-6,9-bis(oxidanylidene)-6a-phenylsulfanyl-7,8,10,10a-tetrahydrophenanthridine-5-carboxylate

Systemtic Name: methyl (6aR,10aS)-6,9-bis(oxidanylidene)-6a-phenylsulfanyl-7,8,10,10a-tetrahydrophenanthridine-5-carboxylate Openeye Name: methyl (6aR,10aS)-6,9-dioxo-6a-phenylsulfanyl-7,8,10,10a-tetrahydrophenanthridine-5-carboxylate CAS Name: (6aR,10aS)-6,9-dioxo-6a-(phenylthio)-7,8,10,10a-tetrahydrophenanthridine-5-carboxylic acid methyl ester IUPAC Name: methyl (6aR,10aS)-6,9-dioxo-6a-phenylsulfanyl-7,8,10,10a-tetrahydrophenanthridine-5-carboxylate Traditional Name: (6aR,10aS)-6,9-diketo-6a-(phenylthio)-7,8,10,10a-tetrahydrophenanthridine-5-carboxylic acid methyl ester Formula: C21H19NO4S MolecularWeight: 381.44486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C2=CC=CC=C2C3CC(=O)CCC3(C1=O)SC4=CC=CC=C4

Isomeric SMILES

COC(=O)N1C2=CC=CC=C2[C@@H]3CC(=O)CC[C@@]3(C1=O)SC4=CC=CC=C4

InChI

InChI=1S/C21H19NO4S/c1-26-20(25)22-18-10-6-5-9-16(18)17-13-14(23)11-12-21(17,19(22)24)27-15-7-3-2-4-8-15/h2-10,17H,11-13H2,1H3/t17-,21+/m0/s1