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

Systemtic Name: 5-chloranyl-N-[2-[[4-(cyanomethyl)phenyl]methyl]-3-oxidanyl-1-oxidanylidene-3H-isoindol-4-yl]thiophene-2-carboxamide Openeye Name: 5-chloro-N-[2-[[4-(cyanomethyl)phenyl]methyl]-3-hydroxy-1-oxo-isoindolin-4-yl]thiophene-2-carboxamide CAS Name: 5-chloro-N-[2-[[4-(cyanomethyl)phenyl]methyl]-3-hydroxy-1-oxo-3H-isoindol-4-yl]-2-thiophenecarboxamide IUPAC Name: 5-chloro-N-[2-[[4-(cyanomethyl)phenyl]methyl]-3-hydroxy-1-oxo-3H-isoindol-4-yl]thiophene-2-carboxamide Traditional Name: 5-chloro-N-[2-[4-(cyanomethyl)benzyl]-3-hydroxy-1-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(N(C2=O)CC3=CC=C(C=C3)CC#N)O)C(=C1)NC(=O)C4=CC=C(S4)Cl

Isomeric SMILES

C1=CC2=C(C(N(C2=O)CC3=CC=C(C=C3)CC#N)O)C(=C1)NC(=O)C4=CC=C(S4)Cl

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/h1-9,22,29H,10,12H2,(H,25,27)