(2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]benzoate CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]benzoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoate Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]benzoic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C19H17NO4S2 MolecularWeight: 387.47258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)OCC(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)OCC(=O)C3=CC=CS3

InChI

InChI=1S/C19H17NO4S2/c1-12-15(13(2)24-20-12)11-26-17-7-4-3-6-14(17)19(22)23-10-16(21)18-8-5-9-25-18/h3-9H,10-11H2,1-2H3