dimethyl (5R,6R)-4,5,6,7-tetrahydro-1,3-benzothiazole-5,6-dicarboxylate

Systemtic Name: dimethyl (5R,6R)-4,5,6,7-tetrahydro-1,3-benzothiazole-5,6-dicarboxylate Openeye Name: dimethyl (5R,6R)-4,5,6,7-tetrahydro-1,3-benzothiazole-5,6-dicarboxylate CAS Name: (5R,6R)-4,5,6,7-tetrahydro-1,3-benzothiazole-5,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (5R,6R)-4,5,6,7-tetrahydro-1,3-benzothiazole-5,6-dicarboxylate Traditional Name: (5R,6R)-4,5,6,7-tetrahydro-1,3-benzothiazole-5,6-dicarboxylic acid dimethyl ester Formula: C11H13NO4S MolecularWeight: 255.29022

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=C(CC1C(=O)OC)SC=N2

Isomeric SMILES

COC(=O)[C@@H]1CC2=C(C[C@H]1C(=O)OC)SC=N2

InChI

InChI=1S/C11H13NO4S/c1-15-10(13)6-3-8-9(17-5-12-8)4-7(6)11(14)16-2/h5-7H,3-4H2,1-2H3/t6-,7-/m1/s1