5-(isoquinolin-5-yloxymethyl)-N-[(2S)-4-methylsulfanyl-1-oxidanyl-butan-2-yl]-1,2-oxazole-3-carboxamide

Systemtic Name: 5-(isoquinolin-5-yloxymethyl)-N-[(2S)-4-methylsulfanyl-1-oxidanyl-butan-2-yl]-1,2-oxazole-3-carboxamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-3-methylsulfanyl-propyl]-5-(5-isoquinolyloxymethyl)isoxazole-3-carboxamide CAS Name: N-[(2S)-1-hydroxy-4-(methylthio)butan-2-yl]-5-(5-isoquinolinyloxymethyl)-3-isoxazolecarboxamide IUPAC Name: N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-5-(isoquinolin-5-yloxymethyl)-1,2-oxazole-3-carboxamide Traditional Name: 5-(5-isoquinolyloxymethyl)-N-[(1S)-1-methylol-3-(methylthio)propyl]isoxazole-3-carboxamide Formula: C19H21N3O4S MolecularWeight: 387.45274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(CO)NC(=O)C1=NOC(=C1)COC2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CSCC[C@@H](CO)NC(=O)C1=NOC(=C1)COC2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C19H21N3O4S/c1-27-8-6-14(11-23)21-19(24)17-9-15(26-22-17)12-25-18-4-2-3-13-10-20-7-5-16(13)18/h2-5,7,9-10,14,23H,6,8,11-12H2,1H3,(H,21,24)/t14-/m0/s1