ethyl 3-[(Z)-2-bromanyl-3-ethoxy-3-oxidanylidene-prop-1-enyl]-7-methyl-2-methylsulfanyl-indolizine-1-carboxylate

Systemtic Name: ethyl 3-[(Z)-2-bromanyl-3-ethoxy-3-oxidanylidene-prop-1-enyl]-7-methyl-2-methylsulfanyl-indolizine-1-carboxylate Openeye Name: ethyl 3-[(Z)-2-bromo-3-ethoxy-3-oxo-prop-1-enyl]-7-methyl-2-methylsulfanyl-indolizine-1-carboxylate CAS Name: 3-[(Z)-2-bromo-3-ethoxy-3-oxoprop-1-enyl]-7-methyl-2-(methylthio)-1-indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(Z)-2-bromo-3-ethoxy-3-oxoprop-1-enyl]-7-methyl-2-methylsulfanylindolizine-1-carboxylate Traditional Name: 3-[(Z)-2-bromo-3-ethoxy-3-keto-prop-1-enyl]-7-methyl-2-(methylthio)indolizine-1-carboxylic acid ethyl ester Formula: C18H20BrNO4S MolecularWeight: 426.3247

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=C(C=CN2C(=C1SC)C=C(C(=O)OCC)Br)C

Isomeric SMILES

CCOC(=O)C1=C2C=C(C=CN2C(=C1SC)/C=C(/C(=O)OCC)\Br)C

InChI

InChI=1S/C18H20BrNO4S/c1-5-23-17(21)12(19)10-14-16(25-4)15(18(22)24-6-2)13-9-11(3)7-8-20(13)14/h7-10H,5-6H2,1-4H3/b12-10-