5,6,7-trimethoxy-4-phenylsulfanyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde

Systemtic Name: 5,6,7-trimethoxy-4-phenylsulfanyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde Openeye Name: 5,6,7-trimethoxy-4-phenylsulfanyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde CAS Name: 5,6,7-trimethoxy-4-(phenylthio)-3,4-dihydro-1H-isoquinoline-2-carboxaldehyde IUPAC Name: 5,6,7-trimethoxy-4-phenylsulfanyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde Traditional Name: 5,6,7-trimethoxy-4-(phenylthio)-3,4-dihydro-1H-isoquinoline-2-carbaldehyde Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(CN(CC2=C1)C=O)SC3=CC=CC=C3)OC)OC

Isomeric SMILES

COC1=C(C(=C2C(CN(CC2=C1)C=O)SC3=CC=CC=C3)OC)OC

InChI

InChI=1S/C19H21NO4S/c1-22-15-9-13-10-20(12-21)11-16(25-14-7-5-4-6-8-14)17(13)19(24-3)18(15)23-2/h4-9,12,16H,10-11H2,1-3H3