dimethyl 2-[1-(4-tert-butylphenyl)carbonyl-8-methoxy-2,2-dimethyl-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-[1-(4-tert-butylphenyl)carbonyl-8-methoxy-2,2-dimethyl-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[1-(4-tert-butylbenzoyl)-8-methoxy-2,2-dimethyl-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[1-[(4-tert-butylphenyl)-oxomethyl]-8-methoxy-2,2-dimethyl-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[1-(4-tert-butylbenzoyl)-8-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[1-(4-tert-butylbenzoyl)-8-methoxy-2,2-dimethyl-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C30H31NO6S3 MolecularWeight: 597.76524

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=C(N1C(=O)C4=CC=C(C=C4)C(C)(C)C)C(=CC=C3)OC)C

Isomeric SMILES

CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=C(N1C(=O)C4=CC=C(C=C4)C(C)(C)C)C(=CC=C3)OC)C

InChI

InChI=1S/C30H31NO6S3/c1-29(2,3)17-14-12-16(13-15-17)25(32)31-21-18(10-9-11-19(21)35-6)20(24(38)30(31,4)5)28-39-22(26(33)36-7)23(40-28)27(34)37-8/h9-15H,1-8H3