6-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[[1-(2-methoxyethyl)-2-benzimidazolyl]thio]-1-oxopropyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[[1-(2-methoxyethyl)benzimidazol-2-yl]thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C21H21N3O4S MolecularWeight: 411.47414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NC4=CC=CC=C4N3CCOC

Isomeric SMILES

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NC4=CC=CC=C4N3CCOC

InChI

InChI=1S/C21H21N3O4S/c1-13(20(26)14-7-8-18-16(11-14)22-19(25)12-28-18)29-21-23-15-5-3-4-6-17(15)24(21)9-10-27-2/h3-8,11,13H,9-10,12H2,1-2H3,(H,22,25)