methyl (2R,3R,4R)-4-(5-chloranyl-2-sulfanylidene-1,3-benzoxazol-3-yl)-2-methyl-6-nitro-3-oxidanyl-3,4-dihydrochromene-2-carboxylate

Systemtic Name: methyl (2R,3R,4R)-4-(5-chloranyl-2-sulfanylidene-1,3-benzoxazol-3-yl)-2-methyl-6-nitro-3-oxidanyl-3,4-dihydrochromene-2-carboxylate Openeye Name: methyl (2R,3R,4R)-4-(5-chloro-2-thioxo-1,3-benzoxazol-3-yl)-3-hydroxy-2-methyl-6-nitro-chromane-2-carboxylate CAS Name: (2R,3R,4R)-4-(5-chloro-2-sulfanylidene-1,3-benzoxazol-3-yl)-3-hydroxy-2-methyl-6-nitro-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid methyl ester IUPAC Name: methyl (2R,3R,4R)-4-(5-chloro-2-sulfanylidene-1,3-benzoxazol-3-yl)-3-hydroxy-2-methyl-6-nitro-3,4-dihydrochromene-2-carboxylate Traditional Name: (2R,3R,4R)-4-(5-chloro-2-thioxo-1,3-benzoxazol-3-yl)-3-hydroxy-2-methyl-6-nitro-chroman-2-carboxylic acid methyl ester Formula: C19H15ClN2O7S MolecularWeight: 450.8496

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3C4=C(C=CC(=C4)Cl)OC3=S)O)C(=O)OC

Isomeric SMILES

C[C@@]1([C@@H]([C@@H](C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3C4=C(C=CC(=C4)Cl)OC3=S)O)C(=O)OC

InChI

InChI=1S/C19H15ClN2O7S/c1-19(17(24)27-2)16(23)15(11-8-10(22(25)26)4-6-13(11)29-19)21-12-7-9(20)3-5-14(12)28-18(21)30/h3-8,15-16,23H,1-2H3/t15-,16-,19-/m1/s1