(2R)-4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2R)-4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-4-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-4-[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-4-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-4-[2-(1,3-benzoxazol-2-ylthio)acetyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1CN(C2=CC=CC=C2O1)C(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CCCNC(=O)[C@H]1CN(C2=CC=CC=C2O1)C(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H21N3O4S/c1-2-11-22-20(26)18-12-24(15-8-4-6-10-17(15)27-18)19(25)13-29-21-23-14-7-3-5-9-16(14)28-21/h3-10,18H,2,11-13H2,1H3,(H,22,26)/t18-/m1/s1