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

Systemtic Name: methyl 4-cyano-3-methyl-5-[(3-phenylmethoxyphenyl)carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H18N2O4S/c1-14-18(12-23)21(29-19(14)22(26)27-2)24-20(25)16-9-6-10-17(11-16)28-13-15-7-4-3-5-8-15/h3-11H,13H2,1-2H3,(H,24,25)