[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 4-(thiophene-2-carbonylamino)benzoate CAS Name: 4-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate Traditional Name: 4-(2-thenoylamino)benzoic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C21H15N3O4S MolecularWeight: 405.4265

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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