(2-oxidanylidene-2-propan-2-yloxy-ethyl) 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzoate

Systemtic Name: (2-oxidanylidene-2-propan-2-yloxy-ethyl) 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzoate Openeye Name: (2-isopropoxy-2-oxo-ethyl) 4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzoate CAS Name: 4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzoic acid (2-oxo-2-propan-2-yloxyethyl) ester IUPAC Name: (2-oxo-2-propan-2-yloxyethyl) 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoate Traditional Name: 4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzoic acid (2-isopropoxy-2-keto-ethyl) ester Formula: C16H16N2O6S2 MolecularWeight: 396.43804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)OCC(=O)OC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)OCC(=O)OC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O6S2/c1-9(2)24-14(19)7-23-15(20)11-4-5-13(12(6-11)18(21)22)26-16-17-10(3)8-25-16/h4-6,8-9H,7H2,1-3H3