[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: [2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [2-(2-cyanoanilino)-2-oxo-ethyl] 4-(thiophene-2-carbonylamino)benzoate CAS Name: 4-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid [2-(2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoanilino)-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate Traditional Name: 4-(2-thenoylamino)benzoic acid [2-(2-cyanoanilino)-2-keto-ethyl] ester Formula: C21H15N3O4S MolecularWeight: 405.4265

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)NC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C(=C1)C#N)NC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H15N3O4S/c22-12-15-4-1-2-5-17(15)24-19(25)13-28-21(27)14-7-9-16(10-8-14)23-20(26)18-6-3-11-29-18/h1-11H,13H2,(H,23,26)(H,24,25)