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

Systemtic Name: ethyl 2-[5-chloranyl-2-(phenylmethylsulfanyl)phenyl]-3-methanoyl-indolizine-1-carboxylate Openeye Name: ethyl 2-(2-benzylsulfanyl-5-chloro-phenyl)-3-formyl-indolizine-1-carboxylate CAS Name: 2-[5-chloro-2-(phenylmethylthio)phenyl]-3-formyl-1-indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-benzylsulfanyl-5-chlorophenyl)-3-formylindolizine-1-carboxylate Traditional Name: 2-[2-(benzylthio)-5-chloro-phenyl]-3-formyl-indolizine-1-carboxylic acid ethyl ester Formula: C25H20ClNO3S MolecularWeight: 449.9492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20ClNO3S/c1-2-30-25(29)24-20-10-6-7-13-27(20)21(15-28)23(24)19-14-18(26)11-12-22(19)31-16-17-8-4-3-5-9-17/h3-15H,2,16H2,1H3