ethyl 3-methanoyl-2-[4-(phenylmethylsulfanyl)phenyl]indolizine-1-carboxylate

Systemtic Name: ethyl 3-methanoyl-2-[4-(phenylmethylsulfanyl)phenyl]indolizine-1-carboxylate Openeye Name: ethyl 2-(4-benzylsulfanylphenyl)-3-formyl-indolizine-1-carboxylate CAS Name: 3-formyl-2-[4-(phenylmethylthio)phenyl]-1-indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-benzylsulfanylphenyl)-3-formylindolizine-1-carboxylate Traditional Name: 2-[4-(benzylthio)phenyl]-3-formyl-indolizine-1-carboxylic acid ethyl ester Formula: C25H21NO3S MolecularWeight: 415.50414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21NO3S/c1-2-29-25(28)24-21-10-6-7-15-26(21)22(16-27)23(24)19-11-13-20(14-12-19)30-17-18-8-4-3-5-9-18/h3-16H,2,17H2,1H3