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

Systemtic Name: ethyl 4-cyano-3-methyl-5-[(3-phenylmethoxyphenyl)carbonylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-[(3-benzyloxybenzoyl)amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[oxo-(3-phenylmethoxyphenyl)methyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[(3-phenylmethoxybenzoyl)amino]thiophene-2-carboxylate Traditional Name: 5-[(3-benzoxybenzoyl)amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3)C#N)C

InChI

InChI=1S/C23H20N2O4S/c1-3-28-23(27)20-15(2)19(13-24)22(30-20)25-21(26)17-10-7-11-18(12-17)29-14-16-8-5-4-6-9-16/h4-12H,3,14H2,1-2H3,(H,25,26)