ethyl 4-cyano-3-methyl-5-[2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-[2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[2-(4-methyl-2-oxo-chromen-7-yl)oxypropanoylamino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[2-(4-methyl-2-oxochromen-7-yl)oxypropanoylamino]thiophene-2-carboxylate Traditional Name: 4-cyano-5-[2-(2-keto-4-methyl-chromen-7-yl)oxypropanoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C22H20N2O6S MolecularWeight: 440.469

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C)OC2=CC3=C(C=C2)C(=CC(=O)O3)C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C)OC2=CC3=C(C=C2)C(=CC(=O)O3)C)C#N)C

InChI

InChI=1S/C22H20N2O6S/c1-5-28-22(27)19-12(3)16(10-23)21(31-19)24-20(26)13(4)29-14-6-7-15-11(2)8-18(25)30-17(15)9-14/h6-9,13H,5H2,1-4H3,(H,24,26)