methyl 5-ethoxy-4-[4-(3-fluorophenyl)carbonyl-5-methoxycarbonyl-1,3-dithiol-2-ylidene]-2,2-dimethyl-3-sulfanylidene-quinoline-1-carboxylate

Systemtic Name: methyl 5-ethoxy-4-[4-(3-fluorophenyl)carbonyl-5-methoxycarbonyl-1,3-dithiol-2-ylidene]-2,2-dimethyl-3-sulfanylidene-quinoline-1-carboxylate Openeye Name: methyl 5-ethoxy-4-[4-(3-fluorobenzoyl)-5-methoxycarbonyl-1,3-dithiol-2-ylidene]-2,2-dimethyl-3-thioxo-quinoline-1-carboxylate CAS Name: 5-ethoxy-4-[4-[(3-fluorophenyl)-oxomethyl]-5-methoxycarbonyl-1,3-dithiol-2-ylidene]-2,2-dimethyl-3-sulfanylidene-1-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 5-ethoxy-4-[4-(3-fluorobenzoyl)-5-methoxycarbonyl-1,3-dithiol-2-ylidene]-2,2-dimethyl-3-sulfanylidenequinoline-1-carboxylate Traditional Name: 4-[4-carbomethoxy-5-(3-fluorobenzoyl)-1,3-dithiol-2-ylidene]-5-ethoxy-2,2-dimethyl-3-thioxo-quinoline-1-carboxylic acid methyl ester Formula: C27H24FNO6S3 MolecularWeight: 573.675963

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC2=C1C(=C3SC(=C(S3)C(=O)OC)C(=O)C4=CC(=CC=C4)F)C(=S)C(N2C(=O)OC)(C)C

Isomeric SMILES

CCOC1=CC=CC2=C1C(=C3SC(=C(S3)C(=O)OC)C(=O)C4=CC(=CC=C4)F)C(=S)C(N2C(=O)OC)(C)C

InChI

InChI=1S/C27H24FNO6S3/c1-6-35-17-12-8-11-16-18(17)19(23(36)27(2,3)29(16)26(32)34-5)25-37-21(22(38-25)24(31)33-4)20(30)14-9-7-10-15(28)13-14/h7-13H,6H2,1-5H3