diethyl 5-phenyl-2-sulfanylidene-1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]pyrrole-3,3-dicarboxylate

Systemtic Name: diethyl 5-phenyl-2-sulfanylidene-1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]pyrrole-3,3-dicarboxylate Openeye Name: diethyl 5-phenyl-2-thioxo-1-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]pyrrole-3,3-dicarboxylate CAS Name: 5-phenyl-2-sulfanylidene-1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]pyrrole-3,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-phenyl-2-sulfanylidene-1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]pyrrole-3,3-dicarboxylate Traditional Name: 5-phenyl-2-thioxo-1-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]-2-pyrroline-3,3-dicarboxylic acid diethyl ester Formula: C30H35NO13S MolecularWeight: 649.6628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C=C(N(C1=S)C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(C=C(N(C1=S)C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C30H35NO13S/c1-7-38-28(36)30(29(37)39-8-2)14-21(20-12-10-9-11-13-20)31(27(30)45)26-25(43-19(6)35)24(42-18(5)34)23(41-17(4)33)22(44-26)15-40-16(3)32/h9-14,22-26H,7-8,15H2,1-6H3