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

Systemtic Name: ethyl 3-ethyl-2-[4-(phenylmethyl)phenyl]carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(4-benzylbenzoyl)imino-3-ethyl-1,3-benzothiazole-6-carboxylate CAS Name: 3-ethyl-2-[oxo-[4-(phenylmethyl)phenyl]methyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-benzylbenzoyl)imino-3-ethyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-benzylbenzoyl)imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C26H24N2O3S MolecularWeight: 444.54536

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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)CC4=CC=CC=C4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=CC=C(C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H24N2O3S/c1-3-28-22-15-14-21(25(30)31-4-2)17-23(22)32-26(28)27-24(29)20-12-10-19(11-13-20)16-18-8-6-5-7-9-18/h5-15,17H,3-4,16H2,1-2H3