ethyl 4-cyano-3-methyl-5-[(2-phenoxyphenyl)carbonylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-[(2-phenoxyphenyl)carbonylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[(2-phenoxybenzoyl)amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[oxo-(2-phenoxyphenyl)methyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[(2-phenoxybenzoyl)amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[(2-phenoxybenzoyl)amino]thiophene-2-carboxylic acid ethyl ester Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=CC=C2OC3=CC=CC=C3)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=CC=C2OC3=CC=CC=C3)C#N)C

InChI

InChI=1S/C22H18N2O4S/c1-3-27-22(26)19-14(2)17(13-23)21(29-19)24-20(25)16-11-7-8-12-18(16)28-15-9-5-4-6-10-15/h4-12H,3H2,1-2H3,(H,24,25)