ethyl 2-(2-ethoxycarbonyl-3-oxidanylidene-1-phenyl-butyl)-1,3-dithiolane-2-carboxylate

Systemtic Name: ethyl 2-(2-ethoxycarbonyl-3-oxidanylidene-1-phenyl-butyl)-1,3-dithiolane-2-carboxylate Openeye Name: ethyl 2-(2-ethoxycarbonyl-3-oxo-1-phenyl-butyl)-1,3-dithiolane-2-carboxylate CAS Name: 2-(2-ethoxycarbonyl-3-oxo-1-phenylbutyl)-1,3-dithiolane-2-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-ethoxycarbonyl-3-oxo-1-phenylbutyl)-1,3-dithiolane-2-carboxylate Traditional Name: 2-(2-carbethoxy-3-keto-1-phenyl-butyl)-1,3-dithiolane-2-carboxylic acid ethyl ester Formula: C19H24O5S2 MolecularWeight: 396.52086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=CC=C1)C2(SCCS2)C(=O)OCC)C(=O)C

Isomeric SMILES

CCOC(=O)C(C(C1=CC=CC=C1)C2(SCCS2)C(=O)OCC)C(=O)C

InChI

InChI=1S/C19H24O5S2/c1-4-23-17(21)15(13(3)20)16(14-9-7-6-8-10-14)19(18(22)24-5-2)25-11-12-26-19/h6-10,15-16H,4-5,11-12H2,1-3H3