diethyl 2-[1-(2-bromophenyl)carbonyl-2,2,7-trimethyl-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: diethyl 2-[1-(2-bromophenyl)carbonyl-2,2,7-trimethyl-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: diethyl 2-[1-(2-bromobenzoyl)-2,2,7-trimethyl-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[1-[(2-bromophenyl)-oxomethyl]-2,2,7-trimethyl-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[1-(2-bromobenzoyl)-2,2,7-trimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[1-(2-bromobenzoyl)-2,2,7-trimethyl-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylic acid diethyl ester Formula: C28H26BrNO5S3 MolecularWeight: 632.60874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C2C3=C(C=C(C=C3)C)N(C(C2=S)(C)C)C(=O)C4=CC=CC=C4Br)S1)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C2C3=C(C=C(C=C3)C)N(C(C2=S)(C)C)C(=O)C4=CC=CC=C4Br)S1)C(=O)OCC

InChI

InChI=1S/C28H26BrNO5S3/c1-6-34-25(32)21-22(26(33)35-7-2)38-27(37-21)20-17-13-12-15(3)14-19(17)30(28(4,5)23(20)36)24(31)16-10-8-9-11-18(16)29/h8-14H,6-7H2,1-5H3