tert-butyl 2-cyclopropylcarbonyl-3-(1-methylsulfonylindol-4-yl)-3-oxidanylidene-propanoate

Systemtic Name: tert-butyl 2-cyclopropylcarbonyl-3-(1-methylsulfonylindol-4-yl)-3-oxidanylidene-propanoate Openeye Name: tert-butyl 2-(cyclopropanecarbonyl)-3-(1-methylsulfonylindol-4-yl)-3-oxo-propanoate CAS Name: 2-[cyclopropyl(oxo)methyl]-3-(1-methylsulfonyl-4-indolyl)-3-oxopropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(cyclopropanecarbonyl)-3-(1-methylsulfonylindol-4-yl)-3-oxopropanoate Traditional Name: 2-(cyclopropanecarbonyl)-3-keto-3-(1-mesylindol-4-yl)propionic acid tert-butyl ester Formula: C20H23NO6S MolecularWeight: 405.46472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C(=O)C1CC1)C(=O)C2=C3C=CN(C3=CC=C2)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)C(C(=O)C1CC1)C(=O)C2=C3C=CN(C3=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C20H23NO6S/c1-20(2,3)27-19(24)16(17(22)12-8-9-12)18(23)14-6-5-7-15-13(14)10-11-21(15)28(4,25)26/h5-7,10-12,16H,8-9H2,1-4H3