tert-butyl 3-(3-ethoxy-3-oxidanylidene-propanoyl)-7-methyl-2-methylsulfanyl-indolizine-1-carboxylate

Systemtic Name: tert-butyl 3-(3-ethoxy-3-oxidanylidene-propanoyl)-7-methyl-2-methylsulfanyl-indolizine-1-carboxylate Openeye Name: tert-butyl 3-(3-ethoxy-3-oxo-propanoyl)-7-methyl-2-methylsulfanyl-indolizine-1-carboxylate CAS Name: 3-(3-ethoxy-1,3-dioxopropyl)-7-methyl-2-(methylthio)-1-indolizinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(3-ethoxy-3-oxopropanoyl)-7-methyl-2-methylsulfanylindolizine-1-carboxylate Traditional Name: 3-(3-ethoxy-3-keto-propanoyl)-7-methyl-2-(methylthio)indolizine-1-carboxylic acid tert-butyl ester Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)C1=C(C(=C2N1C=CC(=C2)C)C(=O)OC(C)(C)C)SC

Isomeric SMILES

CCOC(=O)CC(=O)C1=C(C(=C2N1C=CC(=C2)C)C(=O)OC(C)(C)C)SC

InChI

InChI=1S/C20H25NO5S/c1-7-25-15(23)11-14(22)17-18(27-6)16(19(24)26-20(3,4)5)13-10-12(2)8-9-21(13)17/h8-10H,7,11H2,1-6H3