(phenylmethyl) 3-methyl-5-(4-methylphenyl)imino-2-(phenylmethyl)-1,2-thiazole-4-carboxylate

Systemtic Name: (phenylmethyl) 3-methyl-5-(4-methylphenyl)imino-2-(phenylmethyl)-1,2-thiazole-4-carboxylate Openeye Name: benzyl 2-benzyl-3-methyl-5-(p-tolylimino)isothiazole-4-carboxylate CAS Name: 3-methyl-5-(4-methylphenyl)imino-2-(phenylmethyl)-4-isothiazolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-benzyl-3-methyl-5-(4-methylphenyl)imino-1,2-thiazole-4-carboxylate Traditional Name: 2-benzyl-3-methyl-5-(p-tolylimino)-3-isothiazoline-4-carboxylic acid benzyl ester Formula: C26H24N2O2S MolecularWeight: 428.54596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=C2C(=C(N(S2)CC3=CC=CC=C3)C)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N=C2C(=C(N(S2)CC3=CC=CC=C3)C)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H24N2O2S/c1-19-13-15-23(16-14-19)27-25-24(26(29)30-18-22-11-7-4-8-12-22)20(2)28(31-25)17-21-9-5-3-6-10-21/h3-16H,17-18H2,1-2H3