[4-(thiophen-2-ylcarbonylamino)phenyl] 4-chloranyl-3-(2-oxidanylidenepyrrolidin-1-yl)benzoate

Systemtic Name: [4-(thiophen-2-ylcarbonylamino)phenyl] 4-chloranyl-3-(2-oxidanylidenepyrrolidin-1-yl)benzoate Openeye Name: [4-(thiophene-2-carbonylamino)phenyl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate CAS Name: 4-chloro-3-(2-oxo-1-pyrrolidinyl)benzoic acid [4-[[oxo(thiophen-2-yl)methyl]amino]phenyl] ester IUPAC Name: [4-(thiophene-2-carbonylamino)phenyl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate Traditional Name: 4-chloro-3-(2-ketopyrrolidino)benzoic acid [4-(2-thenoylamino)phenyl] ester Formula: C22H17ClN2O4S MolecularWeight: 440.89938

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=C(C=CC(=C2)C(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=CS4)Cl

Isomeric SMILES

C1CC(=O)N(C1)C2=C(C=CC(=C2)C(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=CS4)Cl

InChI

InChI=1S/C22H17ClN2O4S/c23-17-10-5-14(13-18(17)25-11-1-4-20(25)26)22(28)29-16-8-6-15(7-9-16)24-21(27)19-3-2-12-30-19/h2-3,5-10,12-13H,1,4,11H2,(H,24,27)