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

Systemtic Name: diethyl 2-[1-(4-tert-butylphenyl)carbonyl-6-ethoxy-2,2-dimethyl-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: diethyl 2-[1-(4-tert-butylbenzoyl)-6-ethoxy-2,2-dimethyl-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[1-[(4-tert-butylphenyl)-oxomethyl]-6-ethoxy-2,2-dimethyl-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[1-(4-tert-butylbenzoyl)-6-ethoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[1-(4-tert-butylbenzoyl)-6-ethoxy-2,2-dimethyl-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylic acid diethyl ester Formula: C33H37NO6S3 MolecularWeight: 639.84498

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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)OCC)C(=O)OCC)(C)C)C(=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C33H37NO6S3/c1-9-38-21-16-17-23-22(18-21)24(31-42-25(29(36)39-10-2)26(43-31)30(37)40-11-3)27(41)33(7,8)34(23)28(35)19-12-14-20(15-13-19)32(4,5)6/h12-18H,9-11H2,1-8H3