dimethyl (2R,3S)-7-acetamido-4-methanoyl-2,3-dihydro-1,4-benzothiazine-2,3-dicarboxylate

Systemtic Name: dimethyl (2R,3S)-7-acetamido-4-methanoyl-2,3-dihydro-1,4-benzothiazine-2,3-dicarboxylate Openeye Name: dimethyl (2R,3S)-7-acetamido-4-formyl-2,3-dihydro-1,4-benzothiazine-2,3-dicarboxylate CAS Name: (2R,3S)-7-acetamido-4-formyl-2,3-dihydro-1,4-benzothiazine-2,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (2R,3S)-7-acetamido-4-formyl-2,3-dihydro-1,4-benzothiazine-2,3-dicarboxylate Traditional Name: (2R,3S)-7-acetamido-4-formyl-2,3-dihydro-1,4-benzothiazine-2,3-dicarboxylic acid dimethyl ester Formula: C15H16N2O6S MolecularWeight: 352.36234

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(C(S2)C(=O)OC)C(=O)OC)C=O

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N([C@H]([C@@H](S2)C(=O)OC)C(=O)OC)C=O

InChI

InChI=1S/C15H16N2O6S/c1-8(19)16-9-4-5-10-11(6-9)24-13(15(21)23-3)12(14(20)22-2)17(10)7-18/h4-7,12-13H,1-3H3,(H,16,19)/t12-,13-/m1/s1