methyl (4aS,13bR)-2-ethylsulfanyl-11,12-dimethoxy-6-oxidanylidene-8,9-dihydro-5H-indolo[7a,1-a]isoquinoline-4a-carboxylate

Systemtic Name: methyl (4aS,13bR)-2-ethylsulfanyl-11,12-dimethoxy-6-oxidanylidene-8,9-dihydro-5H-indolo[7a,1-a]isoquinoline-4a-carboxylate Openeye Name: methyl (4aS,13bR)-2-ethylsulfanyl-11,12-dimethoxy-6-oxo-8,9-dihydro-5H-indolo[7a,1-a]isoquinoline-4a-carboxylate CAS Name: (4aS,13bR)-2-(ethylthio)-11,12-dimethoxy-6-oxo-8,9-dihydro-5H-indolo[7a,1-a]isoquinoline-4a-carboxylic acid methyl ester IUPAC Name: methyl (4aS,13bR)-2-ethylsulfanyl-11,12-dimethoxy-6-oxo-8,9-dihydro-5H-indolo[7a,1-a]isoquinoline-4a-carboxylate Traditional Name: (4aS,13bR)-2-(ethylthio)-6-keto-11,12-dimethoxy-8,9-dihydro-5H-indol[7a,1-a]isoquinoline-4a-carboxylic acid methyl ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC23C4=CC(=C(C=C4CCN2C(=O)CC3(C=C1)C(=O)OC)OC)OC

Isomeric SMILES

CCSC1=C[C@]23C4=CC(=C(C=C4CCN2C(=O)C[C@@]3(C=C1)C(=O)OC)OC)OC

InChI

InChI=1S/C22H25NO5S/c1-5-29-15-6-8-21(20(25)28-4)13-19(24)23-9-7-14-10-17(26-2)18(27-3)11-16(14)22(21,23)12-15/h6,8,10-12H,5,7,9,13H2,1-4H3/t21-,22+/m0/s1