methyl 4-[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-propan-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-propan-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[1-methyl-2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[1-[(5-methyl-3-isoxazolyl)amino]-1-oxopropan-2-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[2-keto-1-methyl-2-[(5-methylisoxazol-3-yl)amino]ethyl]thio]acetyl]amino]benzoic acid methyl ester Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C17H19N3O5S/c1-10-8-14(20-25-10)19-16(22)11(2)26-9-15(21)18-13-6-4-12(5-7-13)17(23)24-3/h4-8,11H,9H2,1-3H3,(H,18,21)(H,19,20,22)