[1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: [1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-(thiophene-2-carbonylamino)benzoate CAS Name: 3-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid [1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-cyanoanilino)-1-oxopropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate Traditional Name: 3-(2-thenoylamino)benzoic acid [2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C22H17N3O4S/c1-14(20(26)25-18-9-3-2-6-16(18)13-23)29-22(28)15-7-4-8-17(12-15)24-21(27)19-10-5-11-30-19/h2-12,14H,1H3,(H,24,27)(H,25,26)