(2E)-2-(4-cyclopropylsulfonylphenyl)-N-(7-oxidanylidene-4,5,6,7a-tetrahydro-3aH-1,3-benzothiazol-2-yl)-2-[(3R)-oxolan-3-yl]oxyimino-ethanamide

Systemtic Name: (2E)-2-(4-cyclopropylsulfonylphenyl)-N-(7-oxidanylidene-4,5,6,7a-tetrahydro-3aH-1,3-benzothiazol-2-yl)-2-[(3R)-oxolan-3-yl]oxyimino-ethanamide Openeye Name: (2E)-2-(4-cyclopropylsulfonylphenyl)-N-(7-oxo-4,5,6,7a-tetrahydro-3aH-1,3-benzothiazol-2-yl)-2-[(3R)-tetrahydrofuran-3-yl]oxyimino-acetamide CAS Name: (2E)-2-(4-cyclopropylsulfonylphenyl)-N-(7-oxo-4,5,6,7a-tetrahydro-3aH-1,3-benzothiazol-2-yl)-2-[[(3R)-3-oxolanyl]oxyimino]acetamide IUPAC Name: (2E)-2-(4-cyclopropylsulfonylphenyl)-N-(7-oxo-4,5,6,7a-tetrahydro-3aH-1,3-benzothiazol-2-yl)-2-[(3R)-oxolan-3-yl]oxyiminoacetamide Traditional Name: (2E)-2-(4-cyclopropylsulfonylphenyl)-N-(7-keto-4,5,6,7a-tetrahydro-3aH-1,3-benzothiazol-2-yl)-2-[(3R)-tetrahydrofuran-3-yl]oximino-acetamide Formula: C22H25N3O6S2 MolecularWeight: 491.5804

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C(=O)C1)SC(=N2)NC(=O)C(=NOC3CCOC3)C4=CC=C(C=C4)S(=O)(=O)C5CC5

Isomeric SMILES

C1CC2C(C(=O)C1)SC(=N2)NC(=O)/C(=N/O[C@@H]3CCOC3)/C4=CC=C(C=C4)S(=O)(=O)C5CC5

InChI

InChI=1S/C22H25N3O6S2/c26-18-3-1-2-17-20(18)32-22(23-17)24-21(27)19(25-31-14-10-11-30-12-14)13-4-6-15(7-5-13)33(28,29)16-8-9-16/h4-7,14,16-17,20H,1-3,8-12H2,(H,23,24,27)/b25-19+/t14-,17?,20?/m1/s1