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

Systemtic Name: 7-(imidazo[1,2-a]quinolin-2-ylmethyl)-4,7-dihydro-1,4-thiazepine-3,6-dicarboxylic acid Openeye Name: 7-(imidazo[1,2-a]quinolin-2-ylmethyl)-4,7-dihydro-1,4-thiazepine-3,6-dicarboxylic acid CAS Name: 7-(2-imidazo[1,2-a]quinolinylmethyl)-4,7-dihydro-1,4-thiazepine-3,6-dicarboxylic acid IUPAC Name: 7-(imidazo[1,2-a]quinolin-2-ylmethyl)-4,7-dihydro-1,4-thiazepine-3,6-dicarboxylic acid Traditional Name: 7-(imidazo[1,2-a]quinolin-2-ylmethyl)-4,7-dihydro-1,4-thiazepine-3,6-dicarboxylic acid Formula: C19H15N3O4S MolecularWeight: 381.4051

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=NC(=CN32)CC4C(=CNC(=CS4)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=NC(=CN32)CC4C(=CNC(=CS4)C(=O)O)C(=O)O

InChI

InChI=1S/C19H15N3O4S/c23-18(24)13-8-20-14(19(25)26)10-27-16(13)7-12-9-22-15-4-2-1-3-11(15)5-6-17(22)21-12/h1-6,8-10,16,20H,7H2,(H,23,24)(H,25,26)