(2-benzamido-2-oxidanylidene-ethyl) 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate Openeye Name: (2-benzamido-2-oxo-ethyl) 2-[(5-methylisoxazol-3-yl)methylsulfanyl]benzoate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]benzoic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]benzoic acid (2-benzamido-2-keto-ethyl) ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=CC=CC=C2C(=O)OCC(=O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NO1)CSC2=CC=CC=C2C(=O)OCC(=O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H18N2O5S/c1-14-11-16(23-28-14)13-29-18-10-6-5-9-17(18)21(26)27-12-19(24)22-20(25)15-7-3-2-4-8-15/h2-11H,12-13H2,1H3,(H,22,24,25)