(2-butoxy-2-oxidanylidene-ethyl) 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitro-benzoate

Systemtic Name: (2-butoxy-2-oxidanylidene-ethyl) 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitro-benzoate Openeye Name: (2-butoxy-2-oxo-ethyl) 2-(4-methylthiazol-2-yl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(4-methyl-2-thiazolyl)thio]-5-nitrobenzoic acid (2-butoxy-2-oxoethyl) ester IUPAC Name: (2-butoxy-2-oxoethyl) 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitrobenzoate Traditional Name: 2-[(4-methylthiazol-2-yl)thio]-5-nitro-benzoic acid (2-butoxy-2-keto-ethyl) ester Formula: C17H18N2O6S2 MolecularWeight: 410.46462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=NC(=CS2)C

Isomeric SMILES

CCCCOC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=NC(=CS2)C

InChI

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