2-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 2-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 2-[[3-(2-quinolylmethoxy)phenyl]methoxy]-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 2-[[3-(2-quinolinylmethoxy)phenyl]methoxy]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 2-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 2-[3-(2-quinolylmethoxy)benzyl]oxy-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C26H22N2O3S MolecularWeight: 442.52948

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SC2=CC=CC=C2NC1=O)OCC3=CC(=CC=C3)OCC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1C(SC2=CC=CC=C2NC1=O)OCC3=CC(=CC=C3)OCC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C26H22N2O3S/c29-25-15-26(32-24-11-4-3-10-23(24)28-25)31-16-18-6-5-8-21(14-18)30-17-20-13-12-19-7-1-2-9-22(19)27-20/h1-14,26H,15-17H2,(H,28,29)