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

Systemtic Name: methyl 2-[[(4-methylsulfanylphenyl)carbamoyl-pentyl-amino]methyl]-1,3-oxazole-4-carboxylate Openeye Name: methyl 2-[[(4-methylsulfanylphenyl)carbamoyl-pentyl-amino]methyl]oxazole-4-carboxylate CAS Name: 2-[[[[4-(methylthio)anilino]-oxomethyl]-pentylamino]methyl]-4-oxazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(4-methylsulfanylphenyl)carbamoyl-pentylamino]methyl]-1,3-oxazole-4-carboxylate Traditional Name: 2-[[amyl-[[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:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O4S/c1-4-5-6-11-22(12-17-21-16(13-26-17)18(23)25-2)19(24)20-14-7-9-15(27-3)10-8-14/h7-10,13H,4-6,11-12H2,1-3H3,(H,20,24)