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

Systemtic Name: [2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl] 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzoate Openeye Name: (2-tert-butoxy-2-oxo-ethyl) 4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzoate CAS Name: 4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzoic acid [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoate Traditional Name: 4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzoic acid (2-tert-butoxy-2-keto-ethyl) ester Formula: C17H18N2O6S2 MolecularWeight: 410.46462

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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)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O6S2/c1-10-9-26-16(18-10)27-13-6-5-11(7-12(13)19(22)23)15(21)24-8-14(20)25-17(2,3)4/h5-7,9H,8H2,1-4H3