8-(1H-benzimidazol-2-ylsulfinylmethyl)-9-methyl-3,5-dihydro-2H-[1,4]dioxepino[6,5-c]pyridine

Systemtic Name: 8-(1H-benzimidazol-2-ylsulfinylmethyl)-9-methyl-3,5-dihydro-2H-[1,4]dioxepino[6,5-c]pyridine Openeye Name: 8-(1H-benzimidazol-2-ylsulfinylmethyl)-9-methyl-3,5-dihydro-2H-[1,4]dioxepino[6,5-c]pyridine CAS Name: 8-(1H-benzimidazol-2-ylsulfinylmethyl)-9-methyl-3,5-dihydro-2H-[1,4]dioxepino[6,5-c]pyridine IUPAC Name: 8-(1H-benzimidazol-2-ylsulfinylmethyl)-9-methyl-3,5-dihydro-2H-[1,4]dioxepino[6,5-c]pyridine Traditional Name: 8-(1H-benzimidazol-2-ylsulfinylmethyl)-9-methyl-3,5-dihydro-2H-[1,4]dioxepino[6,5-c]pyridine Formula: C17H17N3O3S MolecularWeight: 343.40018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CN=C1CS(=O)C3=NC4=CC=CC=C4N3)COCCO2

Isomeric SMILES

CC1=C2C(=CN=C1CS(=O)C3=NC4=CC=CC=C4N3)COCCO2

InChI

InChI=1S/C17H17N3O3S/c1-11-15(18-8-12-9-22-6-7-23-16(11)12)10-24(21)17-19-13-4-2-3-5-14(13)20-17/h2-5,8H,6-7,9-10H2,1H3,(H,19,20)