diethyl 2,5-bis[(Z)-[(4-bromanylphenoxy)-phenylazanyl-methylidene]amino]thiophene-3,4-dicarboxylate

Systemtic Name: diethyl 2,5-bis[(Z)-[(4-bromanylphenoxy)-phenylazanyl-methylidene]amino]thiophene-3,4-dicarboxylate Openeye Name: diethyl 2,5-bis[(Z)-[anilino-(4-bromophenoxy)methylene]amino]thiophene-3,4-dicarboxylate CAS Name: 2,5-bis[(Z)-[anilino-(4-bromophenoxy)methylidene]amino]thiophene-3,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2,5-bis[(Z)-[anilino-(4-bromophenoxy)methylidene]amino]thiophene-3,4-dicarboxylate Traditional Name: 2,5-bis[(Z)-[anilino-(4-bromophenoxy)methylene]amino]thiophene-3,4-dicarboxylic acid diethyl ester Formula: C36H30Br2N4O6S MolecularWeight: 806.5196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C(=O)OCC)N=C(NC2=CC=CC=C2)OC3=CC=C(C=C3)Br)N=C(NC4=CC=CC=C4)OC5=CC=C(C=C5)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C(=O)OCC)/N=C(\OC2=CC=C(C=C2)Br)/NC3=CC=CC=C3)/N=C(\OC4=CC=C(C=C4)Br)/NC5=CC=CC=C5

InChI

InChI=1S/C36H30Br2N4O6S/c1-3-45-33(43)29-30(34(44)46-4-2)32(42-36(40-26-13-9-6-10-14-26)48-28-21-17-24(38)18-22-28)49-31(29)41-35(39-25-11-7-5-8-12-25)47-27-19-15-23(37)16-20-27/h5-22H,3-4H2,1-2H3,(H,39,41)(H,40,42)