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

Systemtic Name: dimethyl 2-[1-(4-tert-butylphenyl)carbonyl-2,2,6-trimethyl-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[1-(4-tert-butylbenzoyl)-2,2,6-trimethyl-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[1-[(4-tert-butylphenyl)-oxomethyl]-2,2,6-trimethyl-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[1-(4-tert-butylbenzoyl)-2,2,6-trimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[1-(4-tert-butylbenzoyl)-2,2,6-trimethyl-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C30H31NO5S3 MolecularWeight: 581.76584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=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)C(C)(C)C

Isomeric SMILES

CC1=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)C(C)(C)C

InChI

InChI=1S/C30H31NO5S3/c1-16-9-14-20-19(15-16)21(28-38-22(26(33)35-7)23(39-28)27(34)36-8)24(37)30(5,6)31(20)25(32)17-10-12-18(13-11-17)29(2,3)4/h9-15H,1-8H3