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

Systemtic Name: tert-butyl 3-(3-ethoxy-3-oxidanylidene-propanoyl)-2-ethylsulfanyl-7-methyl-indolizine-1-carboxylate Openeye Name: tert-butyl 3-(3-ethoxy-3-oxo-propanoyl)-2-ethylsulfanyl-7-methyl-indolizine-1-carboxylate CAS Name: 3-(3-ethoxy-1,3-dioxopropyl)-2-(ethylthio)-7-methyl-1-indolizinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(3-ethoxy-3-oxopropanoyl)-2-ethylsulfanyl-7-methylindolizine-1-carboxylate Traditional Name: 3-(3-ethoxy-3-keto-propanoyl)-2-(ethylthio)-7-methyl-indolizine-1-carboxylic acid tert-butyl ester Formula: C21H27NO5S MolecularWeight: 405.50778

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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)SCC

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO5S/c1-7-26-16(24)12-15(23)18-19(28-8-2)17(20(25)27-21(4,5)6)14-11-13(3)9-10-22(14)18/h9-11H,7-8,12H2,1-6H3