ethyl 3-methanoyl-2-[5-methyl-2-(phenylmethylsulfanyl)phenyl]indolizine-1-carboxylate

Systemtic Name: ethyl 3-methanoyl-2-[5-methyl-2-(phenylmethylsulfanyl)phenyl]indolizine-1-carboxylate Openeye Name: ethyl 2-(2-benzylsulfanyl-5-methyl-phenyl)-3-formyl-indolizine-1-carboxylate CAS Name: 3-formyl-2-[5-methyl-2-(phenylmethylthio)phenyl]-1-indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-benzylsulfanyl-5-methylphenyl)-3-formylindolizine-1-carboxylate Traditional Name: 2-[2-(benzylthio)-5-methyl-phenyl]-3-formyl-indolizine-1-carboxylic acid ethyl ester Formula: C26H23NO3S MolecularWeight: 429.53072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=CC=CN2C(=C1C3=C(C=CC(=C3)C)SCC4=CC=CC=C4)C=O

Isomeric SMILES

CCOC(=O)C1=C2C=CC=CN2C(=C1C3=C(C=CC(=C3)C)SCC4=CC=CC=C4)C=O

InChI

InChI=1S/C26H23NO3S/c1-3-30-26(29)25-21-11-7-8-14-27(21)22(16-28)24(25)20-15-18(2)12-13-23(20)31-17-19-9-5-4-6-10-19/h4-16H,3,17H2,1-2H3