[(3S)-2-oxidanylideneoxolan-3-yl] 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzoate

Systemtic Name: [(3S)-2-oxidanylideneoxolan-3-yl] 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzoate Openeye Name: [(3S)-2-oxotetrahydrofuran-3-yl] 4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzoate CAS Name: 4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzoic acid [(3S)-2-oxo-3-oxolanyl] ester IUPAC Name: [(3S)-2-oxooxolan-3-yl] 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoate Traditional Name: 4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzoic acid [(3S)-2-ketotetrahydrofuran-3-yl] ester Formula: C15H12N2O6S2 MolecularWeight: 380.39558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)OC3CCOC3=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)O[C@H]3CCOC3=O)[N+](=O)[O-]

InChI

InChI=1S/C15H12N2O6S2/c1-8-7-24-15(16-8)25-12-3-2-9(6-10(12)17(20)21)13(18)23-11-4-5-22-14(11)19/h2-3,6-7,11H,4-5H2,1H3/t11-/m0/s1