(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzoxazol-2-ylsulfanyl)propanamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzoxazol-2-ylsulfanyl)propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzoxazol-2-ylsulfanyl)propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzoxazol-2-ylthio)propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzoxazol-2-ylsulfanyl)propanamide Traditional Name: (2R)-2-(1,3-benzoxazol-2-ylthio)-N-piperonyl-propionamide Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4O3

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C18H16N2O4S/c1-11(25-18-20-13-4-2-3-5-14(13)24-18)17(21)19-9-12-6-7-15-16(8-12)23-10-22-15/h2-8,11H,9-10H2,1H3,(H,19,21)/t11-/m1/s1