(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl 5-nitrothiophene-2-carboxylate

Systemtic Name: (5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl 5-nitrothiophene-2-carboxylate Openeye Name: (5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methyl 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid (5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methyl ester IUPAC Name: (5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid (5-ethoxy-2-methyl-coumaran-6-yl)methyl ester Formula: C17H17NO6S MolecularWeight: 363.38498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)COC(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CC(O2)C)COC(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C17H17NO6S/c1-3-22-13-7-11-6-10(2)24-14(11)8-12(13)9-23-17(19)15-4-5-16(25-15)18(20)21/h4-5,7-8,10H,3,6,9H2,1-2H3