3-[5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-1,2,5-benzothiadiazepin-2-yl]benzoic acid

Systemtic Name: 3-[5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-1,2,5-benzothiadiazepin-2-yl]benzoic acid Openeye Name: 3-[5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-1,2,5-benzothiadiazepin-2-yl]benzoic acid CAS Name: 3-[5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-1,2,5-benzothiadiazepin-2-yl]benzoic acid IUPAC Name: 3-[5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-1,2,5-benzothiadiazepin-2-yl]benzoic acid Traditional Name: 3-[5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-1,2,5-benzothiadiazepin-2-yl]benzoic acid Formula: C19H18N4O2S MolecularWeight: 366.43682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(SC2=CC=CC=C2N1CC3=CN=CN3)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1CN(SC2=CC=CC=C2N1CC3=CN=CN3)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C19H18N4O2S/c24-19(25)14-4-3-5-16(10-14)23-9-8-22(12-15-11-20-13-21-15)17-6-1-2-7-18(17)26-23/h1-7,10-11,13H,8-9,12H2,(H,20,21)(H,24,25)