(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 6-methyl-2,3-dihydrobenzothiophene-2-carboxylate CAS Name: 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate Traditional Name: 6-methyl-2,3-dihydrobenzothiophene-2-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H17NO6S MolecularWeight: 387.40638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(S2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C=C1

Isomeric SMILES

CC1=CC2=C(CC(S2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C=C1

InChI

InChI=1S/C19H17NO6S/c1-11-2-3-12-7-17(27-16(12)4-11)19(21)25-9-14-6-15(20(22)23)5-13-8-24-10-26-18(13)14/h2-6,17H,7-10H2,1H3