[3-oxidanyl-1,4-bis(sulfanyl)butan-2-yl] 2-(9H-xanthen-9-ylmethyl)-1,3-thiazole-4-carboxylate

Systemtic Name: [3-oxidanyl-1,4-bis(sulfanyl)butan-2-yl] 2-(9H-xanthen-9-ylmethyl)-1,3-thiazole-4-carboxylate Openeye Name: [2-hydroxy-3-sulfanyl-1-(sulfanylmethyl)propyl] 2-(9H-xanthen-9-ylmethyl)thiazole-4-carboxylate CAS Name: 2-(9H-xanthen-9-ylmethyl)-4-thiazolecarboxylic acid (3-hydroxy-1,4-dimercaptobutan-2-yl) ester IUPAC Name: [3-hydroxy-1,4-bis(sulfanyl)butan-2-yl] 2-(9H-xanthen-9-ylmethyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(9H-xanthen-9-ylmethyl)thiazole-4-carboxylic acid [2-hydroxy-3-mercapto-1-(mercaptomethyl)propyl] ester Formula: C22H21NO4S3 MolecularWeight: 459.60144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)CC4=NC(=CS4)C(=O)OC(CS)C(CS)O

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)CC4=NC(=CS4)C(=O)OC(CS)C(CS)O

InChI

InChI=1S/C22H21NO4S3/c24-17(10-28)20(11-29)27-22(25)16-12-30-21(23-16)9-15-13-5-1-3-7-18(13)26-19-8-4-2-6-14(15)19/h1-8,12,15,17,20,24,28-29H,9-11H2