5-[[(5S,10aS)-6,8-dimethoxy-5-[(4-methoxyphenyl)methyl]-3-oxidanylidene-1,5,10,10a-tetrahydro-[1,3]oxazolo[3,4-b]isoquinolin-9-yl]sulfanyl]-3-methyl-imidazole-4-carbaldehyde

Systemtic Name: 5-[[(5S,10aS)-6,8-dimethoxy-5-[(4-methoxyphenyl)methyl]-3-oxidanylidene-1,5,10,10a-tetrahydro-[1,3]oxazolo[3,4-b]isoquinolin-9-yl]sulfanyl]-3-methyl-imidazole-4-carbaldehyde Openeye Name: 5-[[(5S,10aS)-6,8-dimethoxy-5-[(4-methoxyphenyl)methyl]-3-oxo-1,5,10,10a-tetrahydrooxazolo[3,4-b]isoquinolin-9-yl]sulfanyl]-3-methyl-imidazole-4-carbaldehyde CAS Name: 5-[[(5S,10aS)-6,8-dimethoxy-5-[(4-methoxyphenyl)methyl]-3-oxo-1,5,10,10a-tetrahydrooxazolo[3,4-b]isoquinolin-9-yl]thio]-3-methyl-4-imidazolecarboxaldehyde IUPAC Name: 5-[[(5S,10aS)-6,8-dimethoxy-5-[(4-methoxyphenyl)methyl]-3-oxo-1,5,10,10a-tetrahydro-[1,3]oxazolo[3,4-b]isoquinolin-9-yl]sulfanyl]-3-methylimidazole-4-carbaldehyde Traditional Name: 5-[[(5S,10aS)-3-keto-6,8-dimethoxy-5-p-anisyl-1,5,10,10a-tetrahydrooxazol[3,4-b]isoquinolin-9-yl]thio]-3-methyl-imidazole-4-carbaldehyde Formula: C26H27N3O6S MolecularWeight: 509.57408

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1C=O)SC2=C(C=C(C3=C2CC4COC(=O)N4C3CC5=CC=C(C=C5)OC)OC)OC

Isomeric SMILES

CN1C=NC(=C1C=O)SC2=C(C=C(C3=C2C[C@H]4COC(=O)N4[C@H]3CC5=CC=C(C=C5)OC)OC)OC

InChI

InChI=1S/C26H27N3O6S/c1-28-14-27-25(20(28)12-30)36-24-18-10-16-13-35-26(31)29(16)19(9-15-5-7-17(32-2)8-6-15)23(18)21(33-3)11-22(24)34-4/h5-8,11-12,14,16,19H,9-10,13H2,1-4H3/t16-,19-/m0/s1