(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 3-methyl-1-benzofuran-2-carboxylate Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic acid (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl ester IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl ester Formula: C19H16N2O5S MolecularWeight: 384.40574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=C(C3=CC=CC=C3O2)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=C(C3=CC=CC=C3O2)C

InChI

InChI=1S/C19H16N2O5S/c1-3-24-19(23)16-13(12(8-20)17(21)27-16)9-25-18(22)15-10(2)11-6-4-5-7-14(11)26-15/h4-7H,3,9,21H2,1-2H3