ethyl 5-[(4-tert-butylphenyl)carbonylamino]-2-methylsulfanyl-3-(phenylmethyl)imidazole-4-carboxylate

Systemtic Name: ethyl 5-[(4-tert-butylphenyl)carbonylamino]-2-methylsulfanyl-3-(phenylmethyl)imidazole-4-carboxylate Openeye Name: ethyl 3-benzyl-5-[(4-tert-butylbenzoyl)amino]-2-methylsulfanyl-imidazole-4-carboxylate CAS Name: 5-[[(4-tert-butylphenyl)-oxomethyl]amino]-2-(methylthio)-3-(phenylmethyl)-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-5-[(4-tert-butylbenzoyl)amino]-2-methylsulfanylimidazole-4-carboxylate Traditional Name: 3-benzyl-5-[(4-tert-butylbenzoyl)amino]-2-(methylthio)imidazole-4-carboxylic acid ethyl ester Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N1CC2=CC=CC=C2)SC)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N1CC2=CC=CC=C2)SC)NC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C25H29N3O3S/c1-6-31-23(30)20-21(26-22(29)18-12-14-19(15-13-18)25(2,3)4)27-24(32-5)28(20)16-17-10-8-7-9-11-17/h7-15H,6,16H2,1-5H3,(H,26,29)