ethyl 5-(diethoxymethyl)-4-oxidanylidene-3-(phenylmethyl)-6,7-dihydro-5H-2-benzothiophene-1-carboxylate

Systemtic Name: ethyl 5-(diethoxymethyl)-4-oxidanylidene-3-(phenylmethyl)-6,7-dihydro-5H-2-benzothiophene-1-carboxylate Openeye Name: ethyl 3-benzyl-5-(diethoxymethyl)-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylate CAS Name: 5-(diethoxymethyl)-4-oxo-3-(phenylmethyl)-6,7-dihydro-5H-2-benzothiophene-1-carboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-5-(diethoxymethyl)-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylate Traditional Name: 3-benzyl-5-(diethoxymethyl)-4-keto-6,7-dihydro-5H-isobenzothiophene-1-carboxylic acid ethyl ester Formula: C23H28O5S MolecularWeight: 416.53042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1CCC2=C(SC(=C2C1=O)CC3=CC=CC=C3)C(=O)OCC)OCC

Isomeric SMILES

CCOC(C1CCC2=C(SC(=C2C1=O)CC3=CC=CC=C3)C(=O)OCC)OCC

InChI

InChI=1S/C23H28O5S/c1-4-26-22(25)21-16-12-13-17(23(27-5-2)28-6-3)20(24)19(16)18(29-21)14-15-10-8-7-9-11-15/h7-11,17,23H,4-6,12-14H2,1-3H3