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

Systemtic Name: tert-butyl 3,5-bis(chloranyl)-2-(3-oxidanylidene-3-prop-2-enoxy-propyl)sulfonyl-indole-1-carboxylate Openeye Name: tert-butyl 2-(3-allyloxy-3-oxo-propyl)sulfonyl-3,5-dichloro-indole-1-carboxylate CAS Name: 3,5-dichloro-2-(3-oxo-3-prop-2-enoxypropyl)sulfonyl-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3,5-dichloro-2-(3-oxo-3-prop-2-enoxypropyl)sulfonylindole-1-carboxylate Traditional Name: 2-(3-allyloxy-3-keto-propyl)sulfonyl-3,5-dichloro-indole-1-carboxylic acid tert-butyl ester Formula: C19H21Cl2NO6S MolecularWeight: 462.34414

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H21Cl2NO6S/c1-5-9-27-15(23)8-10-29(25,26)17-16(21)13-11-12(20)6-7-14(13)22(17)18(24)28-19(2,3)4/h5-7,11H,1,8-10H2,2-4H3