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

Systemtic Name: 7-(imidazo[1,2-a]quinoxalin-2-ylmethyl)-4,7-dihydro-1,4-thiazepine-3,6-dicarboxylic acid Openeye Name: 7-(imidazo[1,2-a]quinoxalin-2-ylmethyl)-4,7-dihydro-1,4-thiazepine-3,6-dicarboxylic acid CAS Name: 7-(2-imidazo[1,2-a]quinoxalinylmethyl)-4,7-dihydro-1,4-thiazepine-3,6-dicarboxylic acid IUPAC Name: 7-(imidazo[1,2-a]quinoxalin-2-ylmethyl)-4,7-dihydro-1,4-thiazepine-3,6-dicarboxylic acid Traditional Name: 7-(imidazo[1,2-a]quinoxalin-2-ylmethyl)-4,7-dihydro-1,4-thiazepine-3,6-dicarboxylic acid Formula: C18H14N4O4S MolecularWeight: 382.39316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CC3=NC(=CN23)CC4C(=CNC(=CS4)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=CC3=NC(=CN23)CC4C(=CNC(=CS4)C(=O)O)C(=O)O

InChI

InChI=1S/C18H14N4O4S/c23-17(24)11-6-19-13(18(25)26)9-27-15(11)5-10-8-22-14-4-2-1-3-12(14)20-7-16(22)21-10/h1-4,6-9,15,19H,5H2,(H,23,24)(H,25,26)