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

Systemtic Name: tetraethyl 9'-ethoxy-6'-(3-fluorophenyl)carbonyl-5',5'-dimethyl-spiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate Openeye Name: tetraethyl 9'-ethoxy-6'-(3-fluorobenzoyl)-5',5'-dimethyl-spiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate CAS Name: 9'-ethoxy-6'-[(3-fluorophenyl)-oxomethyl]-5',5'-dimethylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylic acid tetraethyl ester IUPAC Name: tetraethyl 9'-ethoxy-6'-(3-fluorobenzoyl)-5',5'-dimethylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate Traditional Name: 9'-ethoxy-6'-(3-fluorobenzoyl)-5',5'-dimethyl-spiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylic acid tetraethyl ester Formula: C37H38FNO10S3 MolecularWeight: 771.891723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(C3=C2C4(C(=C(S3)C(=O)OCC)C(=O)OCC)SC(=C(S4)C(=O)OCC)C(=O)OCC)(C)C)C(=O)C5=CC(=CC=C5)F

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(C3=C2C4(C(=C(S3)C(=O)OCC)C(=O)OCC)SC(=C(S4)C(=O)OCC)C(=O)OCC)(C)C)C(=O)C5=CC(=CC=C5)F

InChI

InChI=1S/C37H38FNO10S3/c1-8-45-22-16-17-24-23(19-22)25-30(36(6,7)39(24)31(40)20-14-13-15-21(38)18-20)50-27(33(42)47-10-3)26(32(41)46-9-2)37(25)51-28(34(43)48-11-4)29(52-37)35(44)49-12-5/h13-19H,8-12H2,1-7H3