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

Systemtic Name: ethyl 3-cyano-2-(3-ethoxy-3-oxidanylidene-propyl)sulfanyl-7-methyl-indolizine-1-carboxylate Openeye Name: ethyl 3-cyano-2-(3-ethoxy-3-oxo-propyl)sulfanyl-7-methyl-indolizine-1-carboxylate CAS Name: 3-cyano-2-[(3-ethoxy-3-oxopropyl)thio]-7-methyl-1-indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-cyano-2-(3-ethoxy-3-oxopropyl)sulfanyl-7-methylindolizine-1-carboxylate Traditional Name: 3-cyano-2-[(3-ethoxy-3-keto-propyl)thio]-7-methyl-indolizine-1-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(=O)OCC)C)C#N

Isomeric SMILES

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

InChI

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