tetraethyl 6'-(4-fluorophenyl)carbonyl-5',5',9'-trimethyl-spiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

Systemtic Name: tetraethyl 6'-(4-fluorophenyl)carbonyl-5',5',9'-trimethyl-spiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate Openeye Name: tetraethyl 6'-(4-fluorobenzoyl)-5',5',9'-trimethyl-spiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate CAS Name: 6'-[(4-fluorophenyl)-oxomethyl]-5',5',9'-trimethylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylic acid tetraethyl ester IUPAC Name: tetraethyl 6'-(4-fluorobenzoyl)-5',5',9'-trimethylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate Traditional Name: 6'-(4-fluorobenzoyl)-5',5',9'-trimethyl-spiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylic acid tetraethyl ester Formula: C36H36FNO9S3 MolecularWeight: 741.865743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C(C13SC(=C(S3)C(=O)OCC)C(=O)OCC)C4=C(C=CC(=C4)C)N(C2(C)C)C(=O)C5=CC=C(C=C5)F)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C(C13SC(=C(S3)C(=O)OCC)C(=O)OCC)C4=C(C=CC(=C4)C)N(C2(C)C)C(=O)C5=CC=C(C=C5)F)C(=O)OCC

InChI

InChI=1S/C36H36FNO9S3/c1-8-44-31(40)25-26(32(41)45-9-2)48-29-24(36(25)49-27(33(42)46-10-3)28(50-36)34(43)47-11-4)22-18-19(5)12-17-23(22)38(35(29,6)7)30(39)20-13-15-21(37)16-14-20/h12-18H,8-11H2,1-7H3