ethyl 1-(2-ethanoyl-3-oxidanylidene-but-1-enyl)-2-ethylsulfanyl-indolizine-3-carboxylate

Systemtic Name: ethyl 1-(2-ethanoyl-3-oxidanylidene-but-1-enyl)-2-ethylsulfanyl-indolizine-3-carboxylate Openeye Name: ethyl 1-(2-acetyl-3-oxo-but-1-enyl)-2-ethylsulfanyl-indolizine-3-carboxylate CAS Name: 1-(2-acetyl-3-oxobut-1-enyl)-2-(ethylthio)-3-indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-acetyl-3-oxobut-1-enyl)-2-ethylsulfanylindolizine-3-carboxylate Traditional Name: 1-(2-acetyl-3-keto-but-1-enyl)-2-(ethylthio)indolizine-3-carboxylic acid ethyl ester Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO4S/c1-5-24-19(23)17-18(25-6-2)15(11-14(12(3)21)13(4)22)16-9-7-8-10-20(16)17/h7-11H,5-6H2,1-4H3