ethyl 2-(2-ethylsulfanyl-5-methyl-phenyl)-3-methanoyl-indolizine-1-carboxylate

Systemtic Name: ethyl 2-(2-ethylsulfanyl-5-methyl-phenyl)-3-methanoyl-indolizine-1-carboxylate Openeye Name: ethyl 2-(2-ethylsulfanyl-5-methyl-phenyl)-3-formyl-indolizine-1-carboxylate CAS Name: 2-[2-(ethylthio)-5-methylphenyl]-3-formyl-1-indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-ethylsulfanyl-5-methylphenyl)-3-formylindolizine-1-carboxylate Traditional Name: 2-[2-(ethylthio)-5-methyl-phenyl]-3-formyl-indolizine-1-carboxylic acid ethyl ester Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=CC=CN2C(=C1C3=C(C=CC(=C3)C)SCC)C=O

Isomeric SMILES

CCOC(=O)C1=C2C=CC=CN2C(=C1C3=C(C=CC(=C3)C)SCC)C=O

InChI

InChI=1S/C21H21NO3S/c1-4-25-21(24)20-16-8-6-7-11-22(16)17(13-23)19(20)15-12-14(3)9-10-18(15)26-5-2/h6-13H,4-5H2,1-3H3