2-(4-methyl-2-oxidanylidene-1,3-thiazol-3-yl)ethyl 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: 2-(4-methyl-2-oxidanylidene-1,3-thiazol-3-yl)ethyl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: 2-(4-methyl-2-oxo-thiazol-3-yl)ethyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid 2-(4-methyl-2-oxo-3-thiazolyl)ethyl ester IUPAC Name: 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid 2-(2-keto-4-methyl-4-thiazolin-3-yl)ethyl ester Formula: C14H14N2O7S2 MolecularWeight: 386.40016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=O)N1CCOC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=O)N1CCOC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C14H14N2O7S2/c1-9-8-24-14(18)15(9)5-6-23-13(17)10-3-4-12(25(2,21)22)11(7-10)16(19)20/h3-4,7-8H,5-6H2,1-2H3