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

Systemtic Name: ethyl 3-(3-ethoxy-3-oxidanylidene-propanoyl)-7-methyl-2-methylsulfanyl-indolizine-1-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H21NO5S MolecularWeight: 363.42804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO5S/c1-5-23-14(21)10-13(20)16-17(25-4)15(18(22)24-6-2)12-9-11(3)7-8-19(12)16/h7-9H,5-6,10H2,1-4H3