ethyl 5-cyano-1-methylsulfanyl-3-thiocyanato-indolizine-2-carboxylate

Systemtic Name: ethyl 5-cyano-1-methylsulfanyl-3-thiocyanato-indolizine-2-carboxylate Openeye Name: ethyl 5-cyano-1-methylsulfanyl-3-thiocyanato-indolizine-2-carboxylate CAS Name: 5-cyano-1-(methylthio)-3-thiocyanato-2-indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-1-methylsulfanyl-3-thiocyanatoindolizine-2-carboxylate Traditional Name: 5-cyano-1-(methylthio)-3-thiocyanato-indolizine-2-carboxylic acid ethyl ester Formula: C14H11N3O2S2 MolecularWeight: 317.38604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N2C(=C1SC)C=CC=C2C#N)SC#N

Isomeric SMILES

CCOC(=O)C1=C(N2C(=C1SC)C=CC=C2C#N)SC#N

InChI

InChI=1S/C14H11N3O2S2/c1-3-19-14(18)11-12(20-2)10-6-4-5-9(7-15)17(10)13(11)21-8-16/h4-6H,3H2,1-2H3