(2-acetamido-1,3-thiazol-4-yl)methyl 3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl 3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: (2-acetamidothiazol-4-yl)methyl 1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carboxylate CAS Name: 3-(3-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolecarboxylic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl 1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carboxylic acid (2-acetamidothiazol-4-yl)methyl ester Formula: C24H22N4O4S MolecularWeight: 462.52088

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)COC(=O)C2=CN(N=C2C3=CC(=CC=C3)OC)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=NC(=CS1)COC(=O)C2=CN(N=C2C3=CC(=CC=C3)OC)CC4=CC=CC=C4

InChI

InChI=1S/C24H22N4O4S/c1-16(29)25-24-26-19(15-33-24)14-32-23(30)21-13-28(12-17-7-4-3-5-8-17)27-22(21)18-9-6-10-20(11-18)31-2/h3-11,13,15H,12,14H2,1-2H3,(H,25,26,29)