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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)NCCSCC3=CC=CS3

Isomeric SMILES

C1[C@H](OC2=CC=CC=C2O1)C(=O)NCCSCC3=CC=CS3

InChI

InChI=1S/C16H17NO3S2/c18-16(17-7-9-21-11-12-4-3-8-22-12)15-10-19-13-5-1-2-6-14(13)20-15/h1-6,8,15H,7,9-11H2,(H,17,18)/t15-/m0/s1