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

Systemtic Name: (4-nitrophenyl)methyl 2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-propan-2-yl]sulfanylethanoate Openeye Name: (4-nitrophenyl)methyl 2-[1-methyl-2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[1-[(5-methyl-3-isoxazolyl)amino]-1-oxopropan-2-yl]thio]acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate Traditional Name: 2-[[2-keto-1-methyl-2-[(5-methylisoxazol-3-yl)amino]ethyl]thio]acetic acid (4-nitrobenzyl) ester Formula: C16H17N3O6S MolecularWeight: 379.38768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O6S/c1-10-7-14(18-25-10)17-16(21)11(2)26-9-15(20)24-8-12-3-5-13(6-4-12)19(22)23/h3-7,11H,8-9H2,1-2H3,(H,17,18,21)