methyl 2-[[(4-methylsulfanylphenyl)carbamoyl-propan-2-yl-amino]methyl]-1,3-oxazole-4-carboxylate

Systemtic Name: methyl 2-[[(4-methylsulfanylphenyl)carbamoyl-propan-2-yl-amino]methyl]-1,3-oxazole-4-carboxylate Openeye Name: methyl 2-[[isopropyl-[(4-methylsulfanylphenyl)carbamoyl]amino]methyl]oxazole-4-carboxylate CAS Name: 2-[[[[4-(methylthio)anilino]-oxomethyl]-propan-2-ylamino]methyl]-4-oxazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(4-methylsulfanylphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxylate Traditional Name: 2-[[isopropyl-[[4-(methylthio)phenyl]carbamoyl]amino]methyl]oxazole-4-carboxylic acid methyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=NC(=CO1)C(=O)OC)C(=O)NC2=CC=C(C=C2)SC

Isomeric SMILES

CC(C)N(CC1=NC(=CO1)C(=O)OC)C(=O)NC2=CC=C(C=C2)SC

InChI

InChI=1S/C17H21N3O4S/c1-11(2)20(9-15-19-14(10-24-15)16(21)23-3)17(22)18-12-5-7-13(25-4)8-6-12/h5-8,10-11H,9H2,1-4H3,(H,18,22)