(phenylmethyl) 3-(2-morpholin-4-yl-1-phenylmethoxy-2-sulfanylidene-ethyl)benzoate

Systemtic Name: (phenylmethyl) 3-(2-morpholin-4-yl-1-phenylmethoxy-2-sulfanylidene-ethyl)benzoate Openeye Name: benzyl 3-(1-benzyloxy-2-morpholino-2-thioxo-ethyl)benzoate CAS Name: 3-[2-(4-morpholinyl)-1-phenylmethoxy-2-sulfanylideneethyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(2-morpholin-4-yl-1-phenylmethoxy-2-sulfanylideneethyl)benzoate Traditional Name: 3-(1-benzoxy-2-morpholino-2-thioxo-ethyl)benzoic acid benzyl ester Formula: C27H27NO4S MolecularWeight: 461.57258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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