(phenylmethyl) 2-azanyl-4-(2-methylsulfanylethyl)-5-oxidanylidene-4H-imidazole-3-carboxylate

Systemtic Name: (phenylmethyl) 2-azanyl-4-(2-methylsulfanylethyl)-5-oxidanylidene-4H-imidazole-3-carboxylate Openeye Name: benzyl 2-amino-4-(2-methylsulfanylethyl)-5-oxo-4H-imidazole-3-carboxylate CAS Name: 2-amino-4-[2-(methylthio)ethyl]-5-oxo-4H-imidazole-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-amino-4-(2-methylsulfanylethyl)-5-oxo-4H-imidazole-3-carboxylate Traditional Name: 2-amino-4-keto-5-[2-(methylthio)ethyl]-2-imidazoline-1-carboxylic acid benzyl ester Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC1C(=O)N=C(N1C(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

CSCCC1C(=O)N=C(N1C(=O)OCC2=CC=CC=C2)N

InChI

InChI=1S/C14H17N3O3S/c1-21-8-7-11-12(18)16-13(15)17(11)14(19)20-9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H2,15,16,18)