(5-phenyl-1,2-oxazol-3-yl)methyl 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)methyl 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (5-phenylisoxazol-3-yl)methyl 2-[2-(dimethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(dimethylamino)-2-oxoethyl]thio]benzoic acid (5-phenyl-3-isoxazolyl)methyl ester IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)methyl 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(dimethylamino)-2-keto-ethyl]thio]benzoic acid (5-phenylisoxazol-3-yl)methyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CSC1=CC=CC=C1C(=O)OCC2=NOC(=C2)C3=CC=CC=C3

Isomeric SMILES

CN(C)C(=O)CSC1=CC=CC=C1C(=O)OCC2=NOC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O4S/c1-23(2)20(24)14-28-19-11-7-6-10-17(19)21(25)26-13-16-12-18(27-22-16)15-8-4-3-5-9-15/h3-12H,13-14H2,1-2H3