(phenylmethyl) 5-(2-morpholin-4-yl-2-sulfanylidene-ethyl)-2-phenylmethoxy-benzoate

Systemtic Name: (phenylmethyl) 5-(2-morpholin-4-yl-2-sulfanylidene-ethyl)-2-phenylmethoxy-benzoate Openeye Name: benzyl 2-benzyloxy-5-(2-morpholino-2-thioxo-ethyl)benzoate CAS Name: 5-[2-(4-morpholinyl)-2-sulfanylideneethyl]-2-phenylmethoxybenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(2-morpholin-4-yl-2-sulfanylideneethyl)-2-phenylmethoxybenzoate Traditional Name: 2-benzoxy-5-(2-morpholino-2-thioxo-ethyl)benzoic acid benzyl ester Formula: C27H27NO4S MolecularWeight: 461.57258

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=S)CC2=CC(=C(C=C2)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1COCCN1C(=S)CC2=CC(=C(C=C2)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H27NO4S/c29-27(32-20-22-9-5-2-6-10-22)24-17-23(18-26(33)28-13-15-30-16-14-28)11-12-25(24)31-19-21-7-3-1-4-8-21/h1-12,17H,13-16,18-20H2