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

Systemtic Name: methyl (2R,3R,4R)-2-methyl-6-nitro-3-oxidanyl-4-(2-sulfanylidene-1,3-benzoxazol-3-yl)-3,4-dihydrochromene-2-carboxylate Openeye Name: methyl (2R,3R,4R)-3-hydroxy-2-methyl-6-nitro-4-(2-thioxo-1,3-benzoxazol-3-yl)chromane-2-carboxylate CAS Name: (2R,3R,4R)-3-hydroxy-2-methyl-6-nitro-4-(2-sulfanylidene-1,3-benzoxazol-3-yl)-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid methyl ester IUPAC Name: methyl (2R,3R,4R)-3-hydroxy-2-methyl-6-nitro-4-(2-sulfanylidene-1,3-benzoxazol-3-yl)-3,4-dihydrochromene-2-carboxylate Traditional Name: (2R,3R,4R)-3-hydroxy-2-methyl-6-nitro-4-(2-thioxo-1,3-benzoxazol-3-yl)chroman-2-carboxylic acid methyl ester Formula: C19H16N2O7S MolecularWeight: 416.40454

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3C4=CC=CC=C4OC3=S)O)C(=O)OC

Isomeric SMILES

C[C@@]1([C@@H]([C@@H](C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3C4=CC=CC=C4OC3=S)O)C(=O)OC

InChI

InChI=1S/C19H16N2O7S/c1-19(17(23)26-2)16(22)15(11-9-10(21(24)25)7-8-13(11)28-19)20-12-5-3-4-6-14(12)27-18(20)29/h3-9,15-16,22H,1-2H3/t15-,16-,19-/m1/s1