[(6R)-2-(4-acetamidophenyl)sulfonylimino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-ylidene]-methoxy-methanolate

Systemtic Name: [(6R)-2-(4-acetamidophenyl)sulfonylimino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-ylidene]-methoxy-methanolate Openeye Name: [(6R)-2-(4-acetamidophenyl)sulfonylimino-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-3-ylidene]-methoxy-methanolate CAS Name: [(6R)-2-(4-acetamidophenyl)sulfonylimino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-ylidene]-methoxymethanolate IUPAC Name: [(6R)-2-(4-acetamidophenyl)sulfonylimino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-ylidene]-methoxymethanolate Traditional Name: [(6R)-2-(4-acetamidophenyl)sulfonylimino-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-3-ylidene]-methoxy-methanolate Formula: C22H27N2O5S2- MolecularWeight: 463.59018

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N=C2C(=C([O-])OC)C3=C(S2)CC(CC3)C(C)(C)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N=C2C(=C([O-])OC)C3=C(S2)C[C@@H](CC3)C(C)(C)C

InChI

InChI=1S/C22H28N2O5S2/c1-13(25)23-15-7-9-16(10-8-15)31(27,28)24-20-19(21(26)29-5)17-11-6-14(22(2,3)4)12-18(17)30-20/h7-10,14,26H,6,11-12H2,1-5H3,(H,23,25)/p-1/t14-/m1/s1