2-[(3-chlorophenyl)methyl]-N-[(2S)-4-methylsulfanyl-1-oxidanyl-butan-2-yl]-1,3-benzoxazole-6-carboxamide

Systemtic Name: 2-[(3-chlorophenyl)methyl]-N-[(2S)-4-methylsulfanyl-1-oxidanyl-butan-2-yl]-1,3-benzoxazole-6-carboxamide Openeye Name: 2-[(3-chlorophenyl)methyl]-N-[(1S)-1-(hydroxymethyl)-3-methylsulfanyl-propyl]-1,3-benzoxazole-6-carboxamide CAS Name: 2-[(3-chlorophenyl)methyl]-N-[(2S)-1-hydroxy-4-(methylthio)butan-2-yl]-1,3-benzoxazole-6-carboxamide IUPAC Name: 2-[(3-chlorophenyl)methyl]-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-1,3-benzoxazole-6-carboxamide Traditional Name: 2-(3-chlorobenzyl)-N-[(1S)-1-methylol-3-(methylthio)propyl]-1,3-benzoxazole-6-carboxamide Formula: C20H21ClN2O3S MolecularWeight: 404.91034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(CO)NC(=O)C1=CC2=C(C=C1)N=C(O2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CSCC[C@@H](CO)NC(=O)C1=CC2=C(C=C1)N=C(O2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H21ClN2O3S/c1-27-8-7-16(12-24)22-20(25)14-5-6-17-18(11-14)26-19(23-17)10-13-3-2-4-15(21)9-13/h2-6,9,11,16,24H,7-8,10,12H2,1H3,(H,22,25)/t16-/m0/s1