(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-acetamido-4,5-dimethyl-3-thiophenecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-acetamido-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-acetamido-4,5-dimethyl-thiophene-3-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)NC(=O)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)NC(=O)C)C

InChI

InChI=1S/C18H18N2O7S/c1-9-10(2)28-17(19-11(3)21)15(9)18(22)26-7-13-5-14(20(23)24)4-12-6-25-8-27-16(12)13/h4-5H,6-8H2,1-3H3,(H,19,21)