ethyl 3-ethyl-2-[4-(phenylcarbonyl)phenyl]carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-ethyl-2-[4-(phenylcarbonyl)phenyl]carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(4-benzoylbenzoyl)imino-3-ethyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(4-benzoylphenyl)-oxomethyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-benzoylbenzoyl)imino-3-ethyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-benzoylbenzoyl)imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C26H22N2O4S MolecularWeight: 458.52888

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H22N2O4S/c1-3-28-21-15-14-20(25(31)32-4-2)16-22(21)33-26(28)27-24(30)19-12-10-18(11-13-19)23(29)17-8-6-5-7-9-17/h5-16H,3-4H2,1-2H3