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

Systemtic Name: (2-methoxy-5-methyl-phenyl)methyl 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Openeye Name: (2-methoxy-5-methyl-phenyl)methyl 2-[2-(isopropylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]benzoic acid (2-methoxy-5-methylphenyl)methyl ester IUPAC Name: (2-methoxy-5-methylphenyl)methyl 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Traditional Name: 2-[[2-(isopropylamino)-2-keto-ethyl]thio]benzoic acid (2-methoxy-5-methyl-benzyl) ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)COC(=O)C2=CC=CC=C2SCC(=O)NC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)COC(=O)C2=CC=CC=C2SCC(=O)NC(C)C

InChI

InChI=1S/C21H25NO4S/c1-14(2)22-20(23)13-27-19-8-6-5-7-17(19)21(24)26-12-16-11-15(3)9-10-18(16)25-4/h5-11,14H,12-13H2,1-4H3,(H,22,23)