[3-oxidanyl-1,4-bis(sulfanyl)butan-2-yl] 2-(diphenylmethyl)-1,3-thiazole-4-carboxylate

Systemtic Name: [3-oxidanyl-1,4-bis(sulfanyl)butan-2-yl] 2-(diphenylmethyl)-1,3-thiazole-4-carboxylate Openeye Name: [2-hydroxy-3-sulfanyl-1-(sulfanylmethyl)propyl] 2-benzhydrylthiazole-4-carboxylate CAS Name: 2-(diphenylmethyl)-4-thiazolecarboxylic acid (3-hydroxy-1,4-dimercaptobutan-2-yl) ester IUPAC Name: [3-hydroxy-1,4-bis(sulfanyl)butan-2-yl] 2-benzhydryl-1,3-thiazole-4-carboxylate Traditional Name: 2-benzhydrylthiazole-4-carboxylic acid [2-hydroxy-3-mercapto-1-(mercaptomethyl)propyl] ester Formula: C21H21NO3S3 MolecularWeight: 431.59134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=NC(=CS3)C(=O)OC(CS)C(CS)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=NC(=CS3)C(=O)OC(CS)C(CS)O

InChI

InChI=1S/C21H21NO3S3/c23-17(11-26)18(12-27)25-21(24)16-13-28-20(22-16)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,13,17-19,23,26-27H,11-12H2