N-[(2S)-4-methylsulfanyl-1-oxidanyl-butan-2-yl]-2-(phenylmethyl)-1,3-benzoxazole-5-carboxamide

Systemtic Name: N-[(2S)-4-methylsulfanyl-1-oxidanyl-butan-2-yl]-2-(phenylmethyl)-1,3-benzoxazole-5-carboxamide Openeye Name: 2-benzyl-N-[(1S)-1-(hydroxymethyl)-3-methylsulfanyl-propyl]-1,3-benzoxazole-5-carboxamide CAS Name: N-[(2S)-1-hydroxy-4-(methylthio)butan-2-yl]-2-(phenylmethyl)-1,3-benzoxazole-5-carboxamide IUPAC Name: 2-benzyl-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-1,3-benzoxazole-5-carboxamide Traditional Name: 2-benzyl-N-[(1S)-1-methylol-3-(methylthio)propyl]-1,3-benzoxazole-5-carboxamide Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(CO)NC(=O)C1=CC2=C(C=C1)OC(=N2)CC3=CC=CC=C3

Isomeric SMILES

CSCC[C@@H](CO)NC(=O)C1=CC2=C(C=C1)OC(=N2)CC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O3S/c1-26-10-9-16(13-23)21-20(24)15-7-8-18-17(12-15)22-19(25-18)11-14-5-3-2-4-6-14/h2-8,12,16,23H,9-11,13H2,1H3,(H,21,24)/t16-/m0/s1