ethyl 2-[[2-acetamido-4-(diethylamino)phenyl]diazenyl]-4,9-bis(oxidanylidene)benzo[f][1]benzothiole-3-carboxylate

Systemtic Name: ethyl 2-[[2-acetamido-4-(diethylamino)phenyl]diazenyl]-4,9-bis(oxidanylidene)benzo[f][1]benzothiole-3-carboxylate Openeye Name: ethyl 2-[2-acetamido-4-(diethylamino)phenyl]azo-4,9-dioxo-benzo[f]benzothiophene-3-carboxylate CAS Name: 2-[2-acetamido-4-(diethylamino)phenyl]azo-4,9-dioxo-3-benzo[f][1]benzothiolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-acetamido-4-(diethylamino)phenyl]diazenyl]-4,9-dioxobenzo[f][1]benzothiole-3-carboxylate Traditional Name: 2-[2-acetamido-4-(diethylamino)phenyl]azo-4,9-diketo-benzo[f]benzothiophene-3-carboxylic acid ethyl ester Formula: C27H26N4O5S MolecularWeight: 518.58414

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C3=C(S2)C(=O)C4=CC=CC=C4C3=O)C(=O)OCC)NC(=O)C

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C3=C(S2)C(=O)C4=CC=CC=C4C3=O)C(=O)OCC)NC(=O)C

InChI

InChI=1S/C27H26N4O5S/c1-5-31(6-2)16-12-13-19(20(14-16)28-15(4)32)29-30-26-22(27(35)36-7-3)21-23(33)17-10-8-9-11-18(17)24(34)25(21)37-26/h8-14H,5-7H2,1-4H3,(H,28,32)