dimethyl 2-[6-ethoxy-2,2-dimethyl-1-(4-phenylphenyl)carbonyl-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-[6-ethoxy-2,2-dimethyl-1-(4-phenylphenyl)carbonyl-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[6-ethoxy-2,2-dimethyl-1-(4-phenylbenzoyl)-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[6-ethoxy-2,2-dimethyl-1-[oxo-(4-phenylphenyl)methyl]-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[6-ethoxy-2,2-dimethyl-1-(4-phenylbenzoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[6-ethoxy-2,2-dimethyl-1-(4-phenylbenzoyl)-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C33H29NO6S3 MolecularWeight: 631.78146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H29NO6S3/c1-6-40-22-16-17-24-23(18-22)25(32-42-26(30(36)38-4)27(43-32)31(37)39-5)28(41)33(2,3)34(24)29(35)21-14-12-20(13-15-21)19-10-8-7-9-11-19/h7-18H,6H2,1-5H3