ethyl 4-cyano-5-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-(2,3-dihydro-1,4-benzodioxin-3-carbonylamino)-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C18H16N2O5S MolecularWeight: 372.39504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2COC3=CC=CC=C3O2)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2COC3=CC=CC=C3O2)C#N)C

InChI

InChI=1S/C18H16N2O5S/c1-3-23-18(22)15-10(2)11(8-19)17(26-15)20-16(21)14-9-24-12-6-4-5-7-13(12)25-14/h4-7,14H,3,9H2,1-2H3,(H,20,21)