7-(5H-imidazo[2,1-a]isoindol-2-ylmethyl)-4,7-dihydro-1,4-thiazepine-3,6-dicarboxylic acid

Systemtic Name: 7-(5H-imidazo[2,1-a]isoindol-2-ylmethyl)-4,7-dihydro-1,4-thiazepine-3,6-dicarboxylic acid Openeye Name: 7-(5H-imidazo[2,1-a]isoindol-2-ylmethyl)-4,7-dihydro-1,4-thiazepine-3,6-dicarboxylic acid CAS Name: 7-(5H-imidazo[2,1-a]isoindol-2-ylmethyl)-4,7-dihydro-1,4-thiazepine-3,6-dicarboxylic acid IUPAC Name: 7-(5H-imidazo[2,1-a]isoindol-2-ylmethyl)-4,7-dihydro-1,4-thiazepine-3,6-dicarboxylic acid Traditional Name: 7-(5H-imidaz[2,1-a]isoindol-2-ylmethyl)-4,7-dihydro-1,4-thiazepine-3,6-dicarboxylic acid Formula: C18H15N3O4S MolecularWeight: 369.3944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C3=NC(=CN31)CC4C(=CNC(=CS4)C(=O)O)C(=O)O

Isomeric SMILES

C1C2=CC=CC=C2C3=NC(=CN31)CC4C(=CNC(=CS4)C(=O)O)C(=O)O

InChI

InChI=1S/C18H15N3O4S/c22-17(23)13-6-19-14(18(24)25)9-26-15(13)5-11-8-21-7-10-3-1-2-4-12(10)16(21)20-11/h1-4,6,8-9,15,19H,5,7H2,(H,22,23)(H,24,25)