methyl 4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]carbonylamino]benzoate Openeye Name: methyl 4-[[2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]benzoyl]amino]benzoate CAS Name: 4-[[[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]amino]benzoate Traditional Name: 4-[[2-[(3,5-dimethylisoxazol-4-yl)methylthio]benzoyl]amino]benzoic acid methyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H20N2O4S/c1-13-18(14(2)27-23-13)12-28-19-7-5-4-6-17(19)20(24)22-16-10-8-15(9-11-16)21(25)26-3/h4-11H,12H2,1-3H3,(H,22,24)