(2-cyanophenyl)methyl 2-(cyclopropylcarbonylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: (2-cyanophenyl)methyl 2-(cyclopropylcarbonylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: (2-cyanophenyl)methyl 2-(cyclopropanecarbonylamino)-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[cyclopropyl(oxo)methyl]amino]-4-phenyl-3-thiophenecarboxylic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 2-(cyclopropanecarbonylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 2-(cyclopropanecarbonylamino)-4-phenyl-thiophene-3-carboxylic acid (2-cyanobenzyl) ester Formula: C23H18N2O3S MolecularWeight: 402.46562

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4C#N

Isomeric SMILES

C1CC1C(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4C#N

InChI

InChI=1S/C23H18N2O3S/c24-12-17-8-4-5-9-18(17)13-28-23(27)20-19(15-6-2-1-3-7-15)14-29-22(20)25-21(26)16-10-11-16/h1-9,14,16H,10-11,13H2,(H,25,26)