[6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 2-chloranyl-5-nitro-benzoate Openeye Name: [6-[(4-methylthiazol-2-yl)sulfanylmethyl]-4-oxo-pyran-3-yl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [6-[[(4-methyl-2-thiazolyl)thio]methyl]-4-oxo-3-pyranyl] ester IUPAC Name: [6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [4-keto-6-[[(4-methylthiazol-2-yl)thio]methyl]pyran-3-yl] ester Formula: C17H11ClN2O6S2 MolecularWeight: 438.86204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SCC2=CC(=O)C(=CO2)OC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CSC(=N1)SCC2=CC(=O)C(=CO2)OC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H11ClN2O6S2/c1-9-7-27-17(19-9)28-8-11-5-14(21)15(6-25-11)26-16(22)12-4-10(20(23)24)2-3-13(12)18/h2-7H,8H2,1H3