ethyl 4-cyano-3-methyl-5-[[4-(2-oxidanylidenechromen-3-yl)phenyl]carbonylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-[[4-(2-oxidanylidenechromen-3-yl)phenyl]carbonylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[[4-(2-oxochromen-3-yl)benzoyl]amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[oxo-[4-(2-oxo-1-benzopyran-3-yl)phenyl]methyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[[4-(2-oxochromen-3-yl)benzoyl]amino]thiophene-2-carboxylate Traditional Name: 4-cyano-5-[[4-(2-ketochromen-3-yl)benzoyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C25H18N2O5S MolecularWeight: 458.48582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(C=C2)C3=CC4=CC=CC=C4OC3=O)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(C=C2)C3=CC4=CC=CC=C4OC3=O)C#N)C

InChI

InChI=1S/C25H18N2O5S/c1-3-31-25(30)21-14(2)19(13-26)23(33-21)27-22(28)16-10-8-15(9-11-16)18-12-17-6-4-5-7-20(17)32-24(18)29/h4-12H,3H2,1-2H3,(H,27,28)