methyl N-(3-acetamido-2-methylsulfanyl-5-phenyl-imidazol-4-yl)-N-(methoxycarbonylamino)carbamate

Systemtic Name: methyl N-(3-acetamido-2-methylsulfanyl-5-phenyl-imidazol-4-yl)-N-(methoxycarbonylamino)carbamate Openeye Name: methyl N-(3-acetamido-2-methylsulfanyl-5-phenyl-imidazol-4-yl)-N-(methoxycarbonylamino)carbamate CAS Name: N-[3-acetamido-2-(methylthio)-5-phenyl-4-imidazolyl]-N-(methoxycarbonylamino)carbamic acid methyl ester IUPAC Name: methyl N-(3-acetamido-2-methylsulfanyl-5-phenylimidazol-4-yl)-N-(methoxycarbonylamino)carbamate Traditional Name: N-[3-acetamido-2-(methylthio)-5-phenyl-imidazol-4-yl]-N-(carbomethoxyamino)carbamic acid methyl ester Formula: C16H19N5O5S MolecularWeight: 393.41756

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NN1C(=C(N=C1SC)C2=CC=CC=C2)N(C(=O)OC)NC(=O)OC

Isomeric SMILES

CC(=O)NN1C(=C(N=C1SC)C2=CC=CC=C2)N(C(=O)OC)NC(=O)OC

InChI

InChI=1S/C16H19N5O5S/c1-10(22)18-20-13(21(16(24)26-3)19-15(23)25-2)12(17-14(20)27-4)11-8-6-5-7-9-11/h5-9H,1-4H3,(H,18,22)(H,19,23)