methyl N-[6-[1-oxidanyl-3-oxidanylidene-2-(thiophen-2-ylmethyl)isoindol-1-yl]-1H-benzimidazol-2-yl]carbamate

Systemtic Name: methyl N-[6-[1-oxidanyl-3-oxidanylidene-2-(thiophen-2-ylmethyl)isoindol-1-yl]-1H-benzimidazol-2-yl]carbamate Openeye Name: methyl N-[6-[1-hydroxy-3-oxo-2-(2-thienylmethyl)isoindolin-1-yl]-1H-benzimidazol-2-yl]carbamate CAS Name: N-[6-[1-hydroxy-3-oxo-2-(thiophen-2-ylmethyl)-1-isoindolyl]-1H-benzimidazol-2-yl]carbamic acid methyl ester IUPAC Name: methyl N-[6-[1-hydroxy-3-oxo-2-(thiophen-2-ylmethyl)isoindol-1-yl]-1H-benzimidazol-2-yl]carbamate Traditional Name: N-[6-[1-hydroxy-3-keto-2-(2-thenyl)isoindolin-1-yl]-1H-benzimidazol-2-yl]carbamic acid methyl ester Formula: C22H18N4O4S MolecularWeight: 434.46772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=NC2=C(N1)C=C(C=C2)C3(C4=CC=CC=C4C(=O)N3CC5=CC=CS5)O

Isomeric SMILES

COC(=O)NC1=NC2=C(N1)C=C(C=C2)C3(C4=CC=CC=C4C(=O)N3CC5=CC=CS5)O

InChI

InChI=1S/C22H18N4O4S/c1-30-21(28)25-20-23-17-9-8-13(11-18(17)24-20)22(29)16-7-3-2-6-15(16)19(27)26(22)12-14-5-4-10-31-14/h2-11,29H,12H2,1H3,(H2,23,24,25,28)