propyl 4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoylamino]benzoate

Systemtic Name: propyl 4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoylamino]benzoate Openeye Name: propyl 4-[[2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-1-oxoethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(3,5-dimethylisoxazol-4-yl)methylthio]acetyl]amino]benzoic acid propyl ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CSCC2=C(ON=C2C)C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CSCC2=C(ON=C2C)C

InChI

InChI=1S/C18H22N2O4S/c1-4-9-23-18(22)14-5-7-15(8-6-14)19-17(21)11-25-10-16-12(2)20-24-13(16)3/h5-8H,4,9-11H2,1-3H3,(H,19,21)