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

Systemtic Name: dimethyl 2-[1-(2-bromophenyl)carbonyl-2,2,6-trimethyl-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[1-(2-bromobenzoyl)-2,2,6-trimethyl-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[1-[(2-bromophenyl)-oxomethyl]-2,2,6-trimethyl-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[1-(2-bromobenzoyl)-2,2,6-trimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[1-(2-bromobenzoyl)-2,2,6-trimethyl-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C26H22BrNO5S3 MolecularWeight: 604.55558

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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)C(=O)OC)(C)C)C(=O)C4=CC=CC=C4Br

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=CC=C4Br

InChI

InChI=1S/C26H22BrNO5S3/c1-13-10-11-17-15(12-13)18(25-35-19(23(30)32-4)20(36-25)24(31)33-5)21(34)26(2,3)28(17)22(29)14-8-6-7-9-16(14)27/h6-12H,1-5H3