diethyl 6-phenylmethoxy-2-sulfanyl-indolizine-1,3-dicarboxylate

Systemtic Name: diethyl 6-phenylmethoxy-2-sulfanyl-indolizine-1,3-dicarboxylate Openeye Name: diethyl 6-benzyloxy-2-sulfanyl-indolizine-1,3-dicarboxylate CAS Name: 2-mercapto-6-phenylmethoxyindolizine-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 6-phenylmethoxy-2-sulfanylindolizine-1,3-dicarboxylate Traditional Name: 6-benzoxy-2-mercapto-indolizine-1,3-dicarboxylic acid diethyl ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=CC(=CN2C(=C1S)C(=O)OCC)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C2C=CC(=CN2C(=C1S)C(=O)OCC)OCC3=CC=CC=C3

InChI

InChI=1S/C21H21NO5S/c1-3-25-20(23)17-16-11-10-15(27-13-14-8-6-5-7-9-14)12-22(16)18(19(17)28)21(24)26-4-2/h5-12,28H,3-4,13H2,1-2H3