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

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)methyl 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Openeye Name: (5-phenylisoxazol-3-yl)methyl 2-[2-(isopropylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]benzoic acid (5-phenyl-3-isoxazolyl)methyl ester IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)methyl 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Traditional Name: 2-[[2-(isopropylamino)-2-keto-ethyl]thio]benzoic acid (5-phenylisoxazol-3-yl)methyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4S/c1-15(2)23-21(25)14-29-20-11-7-6-10-18(20)22(26)27-13-17-12-19(28-24-17)16-8-4-3-5-9-16/h3-12,15H,13-14H2,1-2H3,(H,23,25)