(5-ethanoyl-2-methoxy-phenyl)methyl 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 2-[2-(isopropylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]benzoic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Traditional Name: 2-[[2-(isopropylamino)-2-keto-ethyl]thio]benzoic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)OCC2=C(C=CC(=C2)C(=O)C)OC

Isomeric SMILES

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)OCC2=C(C=CC(=C2)C(=O)C)OC

InChI

InChI=1S/C22H25NO5S/c1-14(2)23-21(25)13-29-20-8-6-5-7-18(20)22(26)28-12-17-11-16(15(3)24)9-10-19(17)27-4/h5-11,14H,12-13H2,1-4H3,(H,23,25)