methyl 5-phenyl-2-[2,2,6-trimethyl-1-(phenylcarbonyl)-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4-carboxylate

Systemtic Name: methyl 5-phenyl-2-[2,2,6-trimethyl-1-(phenylcarbonyl)-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4-carboxylate Openeye Name: methyl 2-(1-benzoyl-2,2,6-trimethyl-3-thioxo-4-quinolylidene)-5-phenyl-1,3-dithiole-4-carboxylate CAS Name: 2-(1-benzoyl-2,2,6-trimethyl-3-sulfanylidene-4-quinolinylidene)-5-phenyl-1,3-dithiole-4-carboxylic acid methyl ester IUPAC Name: methyl 2-(1-benzoyl-2,2,6-trimethyl-3-sulfanylidenequinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate Traditional Name: 2-(1-benzoyl-2,2,6-trimethyl-3-thioxo-4-quinolylidene)-5-phenyl-1,3-dithiole-4-carboxylic acid methyl ester Formula: C30H25NO3S3 MolecularWeight: 543.7194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C4=CC=CC=C4)(C)C)C(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C4=CC=CC=C4)(C)C)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C30H25NO3S3/c1-18-15-16-22-21(17-18)23(26(35)30(2,3)31(22)27(32)20-13-9-6-10-14-20)29-36-24(19-11-7-5-8-12-19)25(37-29)28(33)34-4/h5-17H,1-4H3