ethyl 3-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]-2-methylsulfanyl-indolizine-1-carboxylate

Systemtic Name: ethyl 3-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]-2-methylsulfanyl-indolizine-1-carboxylate Openeye Name: ethyl 3-[(E)-3-ethoxy-3-oxo-prop-1-enyl]-2-methylsulfanyl-indolizine-1-carboxylate CAS Name: 3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2-(methylthio)-1-indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2-methylsulfanylindolizine-1-carboxylate Traditional Name: 3-[(E)-3-ethoxy-3-keto-prop-1-enyl]-2-(methylthio)indolizine-1-carboxylic acid ethyl ester Formula: C17H19NO4S MolecularWeight: 333.40206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=C(C(=C2N1C=CC=C2)C(=O)OCC)SC

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO4S/c1-4-21-14(19)10-9-13-16(23-3)15(17(20)22-5-2)12-8-6-7-11-18(12)13/h6-11H,4-5H2,1-3H3/b10-9+