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

Systemtic Name: methyl 4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(3,5-dimethylisoxazol-4-yl)methylthio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSCC(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=C(C(=NO1)C)CSCC(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C17H20N2O4S/c1-11-15(12(2)23-19-11)9-24-10-16(20)18-8-13-4-6-14(7-5-13)17(21)22-3/h4-7H,8-10H2,1-3H3,(H,18,20)