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

Systemtic Name: methyl 3-ethyl-2-[4-(phenylcarbonyl)phenyl]carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C25H20N2O4S MolecularWeight: 444.5023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20N2O4S/c1-3-27-20-14-13-19(24(30)31-2)15-21(20)32-25(27)26-23(29)18-11-9-17(10-12-18)22(28)16-7-5-4-6-8-16/h4-15H,3H2,1-2H3