[2-[(6-methoxy-7-prop-2-enoxy-isoquinolin-1-yl)methylsulfinyl]benzimidazol-1-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [2-[(6-methoxy-7-prop-2-enoxy-isoquinolin-1-yl)methylsulfinyl]benzimidazol-1-yl]methyl 2,2-dimethylpropanoate Openeye Name: [2-[(7-allyloxy-6-methoxy-1-isoquinolyl)methylsulfinyl]benzimidazol-1-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-[(6-methoxy-7-prop-2-enoxy-1-isoquinolinyl)methylsulfinyl]-1-benzimidazolyl]methyl ester IUPAC Name: [2-[(6-methoxy-7-prop-2-enoxyisoquinolin-1-yl)methylsulfinyl]benzimidazol-1-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-[(7-allyloxy-6-methoxy-1-isoquinolyl)methylsulfinyl]benzimidazol-1-yl]methyl ester Formula: C27H29N3O5S MolecularWeight: 507.60126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C2=CC=CC=C2N=C1S(=O)CC3=NC=CC4=CC(=C(C=C43)OCC=C)OC

Isomeric SMILES

CC(C)(C)C(=O)OCN1C2=CC=CC=C2N=C1S(=O)CC3=NC=CC4=CC(=C(C=C43)OCC=C)OC

InChI

InChI=1S/C27H29N3O5S/c1-6-13-34-24-15-19-18(14-23(24)33-5)11-12-28-21(19)16-36(32)26-29-20-9-7-8-10-22(20)30(26)17-35-25(31)27(2,3)4/h6-12,14-15H,1,13,16-17H2,2-5H3