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

Systemtic Name: [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: [(1S)-1-methyl-2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl] 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid [(2S)-1-[(5-methyl-3-isoxazolyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid [(1S)-2-keto-1-methyl-2-[(5-methylisoxazol-3-yl)amino]ethyl] ester Formula: C15H15N3O6S MolecularWeight: 365.3611

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)OC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)NC(=O)[C@H](C)OC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H15N3O6S/c1-9-7-13(17-24-9)16-15(20)10(2)23-14(19)8-25-12-5-3-11(4-6-12)18(21)22/h3-7,10H,8H2,1-2H3,(H,16,17,20)/t10-/m0/s1