tert-butyl 3-(2-hydroxyethyl)-2-(3-methoxy-3-oxidanylidene-prop-1-en-2-yl)-6-methylsulfonyloxy-indole-1-carboxylate

Systemtic Name: tert-butyl 3-(2-hydroxyethyl)-2-(3-methoxy-3-oxidanylidene-prop-1-en-2-yl)-6-methylsulfonyloxy-indole-1-carboxylate Openeye Name: tert-butyl 3-(2-hydroxyethyl)-2-(1-methoxycarbonylvinyl)-6-methylsulfonyloxy-indole-1-carboxylate CAS Name: 3-(2-hydroxyethyl)-2-(3-methoxy-3-oxoprop-1-en-2-yl)-6-methylsulfonyloxy-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(2-hydroxyethyl)-2-(3-methoxy-3-oxoprop-1-en-2-yl)-6-methylsulfonyloxyindole-1-carboxylate Traditional Name: 2-(1-carbomethoxyvinyl)-3-(2-hydroxyethyl)-6-methylsulfonyloxy-indole-1-carboxylic acid tert-butyl ester Formula: C20H25NO8S MolecularWeight: 439.4794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=CC(=C2)OS(=O)(=O)C)C(=C1C(=C)C(=O)OC)CCO

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=CC(=C2)OS(=O)(=O)C)C(=C1C(=C)C(=O)OC)CCO

InChI

InChI=1S/C20H25NO8S/c1-12(18(23)27-5)17-15(9-10-22)14-8-7-13(29-30(6,25)26)11-16(14)21(17)19(24)28-20(2,3)4/h7-8,11,22H,1,9-10H2,2-6H3