(3R)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3R)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3R)-N-[2-(3-thienylmethylsulfanyl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3R)-N-[2-(3-thiophenylmethylthio)ethyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3R)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3R)-N-[2-(3-thenylthio)ethyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C16H17NO3S2 MolecularWeight: 335.44108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)NCCSCC3=CSC=C3

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2O1)C(=O)NCCSCC3=CSC=C3

InChI

InChI=1S/C16H17NO3S2/c18-16(17-6-8-22-11-12-5-7-21-10-12)15-9-19-13-3-1-2-4-14(13)20-15/h1-5,7,10,15H,6,8-9,11H2,(H,17,18)/t15-/m1/s1