(4,5-dimethoxy-2-methyl-phenyl)methyl 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate

Systemtic Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Openeye Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 2-[2-(isopropylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]benzoic acid (4,5-dimethoxy-2-methylphenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-methylphenyl)methyl 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Traditional Name: 2-[[2-(isopropylamino)-2-keto-ethyl]thio]benzoic acid (4,5-dimethoxy-2-methyl-benzyl) ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1COC(=O)C2=CC=CC=C2SCC(=O)NC(C)C)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1COC(=O)C2=CC=CC=C2SCC(=O)NC(C)C)OC)OC

InChI

InChI=1S/C22H27NO5S/c1-14(2)23-21(24)13-29-20-9-7-6-8-17(20)22(25)28-12-16-11-19(27-5)18(26-4)10-15(16)3/h6-11,14H,12-13H2,1-5H3,(H,23,24)