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

Systemtic Name: 2-[5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-1,2,5-benzothiadiazepin-2-yl]-2-phenyl-ethanoic acid Openeye Name: 2-[5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-1,2,5-benzothiadiazepin-2-yl]-2-phenyl-acetic acid CAS Name: 2-[5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-1,2,5-benzothiadiazepin-2-yl]-2-phenylacetic acid IUPAC Name: 2-[5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-1,2,5-benzothiadiazepin-2-yl]-2-phenylacetic acid Traditional Name: 2-[5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-1,2,5-benzothiadiazepin-2-yl]-2-phenyl-acetic acid Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O2S/c25-20(26)19(15-6-2-1-3-7-15)24-11-10-23(13-16-12-21-14-22-16)17-8-4-5-9-18(17)27-24/h1-9,12,14,19H,10-11,13H2,(H,21,22)(H,25,26)