(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(thiophen-2-ylmethylsulfanyl)ethanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(thiophen-2-ylmethylsulfanyl)ethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-thienylmethylsulfanyl)acetate CAS Name: 2-(thiophen-2-ylmethylthio)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(thiophen-2-ylmethylsulfanyl)acetate Traditional Name: 2-(2-thenylthio)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C16H15NO6S2 MolecularWeight: 381.4234

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)CSCC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)CSCC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C16H15NO6S2/c18-15(9-24-8-14-2-1-3-25-14)22-7-12-5-13(17(19)20)4-11-6-21-10-23-16(11)12/h1-5H,6-10H2