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

Systemtic Name: [3-oxidanyl-1,4-bis(sulfanyl)butan-2-yl] 2-(3,4-dihydro-2H-thiochromen-4-yl)-1,3-thiazole-4-carboxylate Openeye Name: [2-hydroxy-3-sulfanyl-1-(sulfanylmethyl)propyl] 2-thiochroman-4-ylthiazole-4-carboxylate CAS Name: 2-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-4-thiazolecarboxylic acid (3-hydroxy-1,4-dimercaptobutan-2-yl) ester IUPAC Name: [3-hydroxy-1,4-bis(sulfanyl)butan-2-yl] 2-(3,4-dihydro-2H-thiochromen-4-yl)-1,3-thiazole-4-carboxylate Traditional Name: 2-thiochroman-4-ylthiazole-4-carboxylic acid [2-hydroxy-3-mercapto-1-(mercaptomethyl)propyl] ester Formula: C17H19NO3S4 MolecularWeight: 413.59766

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C1C3=NC(=CS3)C(=O)OC(CS)C(CS)O

Isomeric SMILES

C1CSC2=CC=CC=C2C1C3=NC(=CS3)C(=O)OC(CS)C(CS)O

InChI

InChI=1S/C17H19NO3S4/c19-13(7-22)14(8-23)21-17(20)12-9-25-16(18-12)11-5-6-24-15-4-2-1-3-10(11)15/h1-4,9,11,13-14,19,22-23H,5-8H2