tert-butyl 5-chloranyl-2-(3-oxidanylidene-3-prop-2-enoxy-propyl)sulfonyl-indole-1-carboxylate

Systemtic Name: tert-butyl 5-chloranyl-2-(3-oxidanylidene-3-prop-2-enoxy-propyl)sulfonyl-indole-1-carboxylate Openeye Name: tert-butyl 2-(3-allyloxy-3-oxo-propyl)sulfonyl-5-chloro-indole-1-carboxylate CAS Name: 5-chloro-2-(3-oxo-3-prop-2-enoxypropyl)sulfonyl-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-chloro-2-(3-oxo-3-prop-2-enoxypropyl)sulfonylindole-1-carboxylate Traditional Name: 2-(3-allyloxy-3-keto-propyl)sulfonyl-5-chloro-indole-1-carboxylic acid tert-butyl ester Formula: C19H22ClNO6S MolecularWeight: 427.89908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)Cl)C=C1S(=O)(=O)CCC(=O)OCC=C

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)Cl)C=C1S(=O)(=O)CCC(=O)OCC=C

InChI

InChI=1S/C19H22ClNO6S/c1-5-9-26-17(22)8-10-28(24,25)16-12-13-11-14(20)6-7-15(13)21(16)18(23)27-19(2,3)4/h5-7,11-12H,1,8-10H2,2-4H3