ethyl 4-cyano-3-methyl-5-[(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)carbonylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-[(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)carbonylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[(2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl)amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-oxomethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[(2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl)amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[(2-methyl-2,3-dihydro-1,4-benzodioxin-3-carbonyl)amino]thiophene-2-carboxylic acid ethyl ester Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2C(OC3=CC=CC=C3O2)C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2C(OC3=CC=CC=C3O2)C)C#N)C

InChI

InChI=1S/C19H18N2O5S/c1-4-24-19(23)16-10(2)12(9-20)18(27-16)21-17(22)15-11(3)25-13-7-5-6-8-14(13)26-15/h5-8,11,15H,4H2,1-3H3,(H,21,22)