(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]ethanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]ethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(2-methylthiazol-4-yl)methylsulfanyl]acetate CAS Name: 2-[(2-methyl-4-thiazolyl)methylthio]acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetate Traditional Name: 2-[(2-methylthiazol-4-yl)methylthio]acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C16H16N2O6S2 MolecularWeight: 396.43804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CC1=NC(=CS1)CSCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C16H16N2O6S2/c1-10-17-13(7-26-10)6-25-8-15(19)23-5-12-3-14(18(20)21)2-11-4-22-9-24-16(11)12/h2-3,7H,4-6,8-9H2,1H3