[(2R)-oxolan-2-yl]methyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitro-benzoate

Systemtic Name: [(2R)-oxolan-2-yl]methyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitro-benzoate Openeye Name: [(2R)-tetrahydrofuran-2-yl]methyl 2-(4-methylthiazol-2-yl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(4-methyl-2-thiazolyl)thio]-5-nitrobenzoic acid [(2R)-2-oxolanyl]methyl ester IUPAC Name: [(2R)-oxolan-2-yl]methyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitrobenzoate Traditional Name: 2-[(4-methylthiazol-2-yl)thio]-5-nitro-benzoic acid [(2R)-tetrahydrofuran-2-yl]methyl ester Formula: C16H16N2O5S2 MolecularWeight: 380.43864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3CCCO3

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC[C@H]3CCCO3

InChI

InChI=1S/C16H16N2O5S2/c1-10-9-24-16(17-10)25-14-5-4-11(18(20)21)7-13(14)15(19)23-8-12-3-2-6-22-12/h4-5,7,9,12H,2-3,6,8H2,1H3/t12-/m1/s1