(3S)-N-[2-[(5-bromanylthiophen-2-yl)methylsulfanyl]ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3S)-N-[2-[(5-bromanylthiophen-2-yl)methylsulfanyl]ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3S)-N-[2-[(5-bromo-2-thienyl)methylsulfanyl]ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3S)-N-[2-[(5-bromo-2-thiophenyl)methylthio]ethyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3S)-N-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3S)-N-[2-[(5-bromo-2-thienyl)methylthio]ethyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C16H16BrNO3S2 MolecularWeight: 414.33714

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)NCCSCC3=CC=C(S3)Br

Isomeric SMILES

C1[C@H](OC2=CC=CC=C2O1)C(=O)NCCSCC3=CC=C(S3)Br

InChI

InChI=1S/C16H16BrNO3S2/c17-15-6-5-11(23-15)10-22-8-7-18-16(19)14-9-20-12-3-1-2-4-13(12)21-14/h1-6,14H,7-10H2,(H,18,19)/t14-/m0/s1