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

Systemtic Name: methyl 2-[[3-methylbutyl-[(4-methylsulfanylphenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxylate Openeye Name: methyl 2-[[isopentyl-[(4-methylsulfanylphenyl)carbamoyl]amino]methyl]oxazole-4-carboxylate CAS Name: 2-[[3-methylbutyl-[[4-(methylthio)anilino]-oxomethyl]amino]methyl]-4-oxazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[3-methylbutyl-[(4-methylsulfanylphenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxylate Traditional Name: 2-[[isoamyl-[[4-(methylthio)phenyl]carbamoyl]amino]methyl]oxazole-4-carboxylic acid methyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O4S/c1-13(2)9-10-22(11-17-21-16(12-26-17)18(23)25-3)19(24)20-14-5-7-15(27-4)8-6-14/h5-8,12-13H,9-11H2,1-4H3,(H,20,24)