ethyl 1-cyano-2-(3-ethoxy-3-oxidanylidene-propyl)sulfanyl-7-methyl-indolizine-3-carboxylate

Systemtic Name: ethyl 1-cyano-2-(3-ethoxy-3-oxidanylidene-propyl)sulfanyl-7-methyl-indolizine-3-carboxylate Openeye Name: ethyl 1-cyano-2-(3-ethoxy-3-oxo-propyl)sulfanyl-7-methyl-indolizine-3-carboxylate CAS Name: 1-cyano-2-[(3-ethoxy-3-oxopropyl)thio]-7-methyl-3-indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyano-2-(3-ethoxy-3-oxopropyl)sulfanyl-7-methylindolizine-3-carboxylate Traditional Name: 1-cyano-2-[(3-ethoxy-3-keto-propyl)thio]-7-methyl-indolizine-3-carboxylic acid ethyl ester Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCSC1=C(N2C=CC(=CC2=C1C#N)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)CCSC1=C(N2C=CC(=CC2=C1C#N)C)C(=O)OCC

InChI

InChI=1S/C18H20N2O4S/c1-4-23-15(21)7-9-25-17-13(11-19)14-10-12(3)6-8-20(14)16(17)18(22)24-5-2/h6,8,10H,4-5,7,9H2,1-3H3