5-chloranyl-N-[2-[[4-(cyanomethyl)phenyl]methyl]-1-oxidanyl-3-oxidanylidene-1H-isoindol-4-yl]thiophene-2-carboxamide

Systemtic Name: 5-chloranyl-N-[2-[[4-(cyanomethyl)phenyl]methyl]-1-oxidanyl-3-oxidanylidene-1H-isoindol-4-yl]thiophene-2-carboxamide Openeye Name: 5-chloro-N-[2-[[4-(cyanomethyl)phenyl]methyl]-1-hydroxy-3-oxo-isoindolin-4-yl]thiophene-2-carboxamide CAS Name: 5-chloro-N-[2-[[4-(cyanomethyl)phenyl]methyl]-1-hydroxy-3-oxo-1H-isoindol-4-yl]-2-thiophenecarboxamide IUPAC Name: 5-chloro-N-[2-[[4-(cyanomethyl)phenyl]methyl]-1-hydroxy-3-oxo-1H-isoindol-4-yl]thiophene-2-carboxamide Traditional Name: 5-chloro-N-[2-[4-(cyanomethyl)benzyl]-1-hydroxy-3-keto-isoindolin-4-yl]thiophene-2-carboxamide Formula: C22H16ClN3O3S MolecularWeight: 437.89874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)NC(=O)C3=CC=C(S3)Cl)C(=O)N(C2O)CC4=CC=C(C=C4)CC#N

Isomeric SMILES

C1=CC2=C(C(=C1)NC(=O)C3=CC=C(S3)Cl)C(=O)N(C2O)CC4=CC=C(C=C4)CC#N

InChI

InChI=1S/C22H16ClN3O3S/c23-18-9-8-17(30-18)20(27)25-16-3-1-2-15-19(16)22(29)26(21(15)28)12-14-6-4-13(5-7-14)10-11-24/h1-9,21,28H,10,12H2,(H,25,27)