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

Systemtic Name: [3-oxidanyl-1,4-bis(sulfanyl)butan-2-yl] 2-[(2-propan-2-yloxyphenoxy)methyl]-1,3-thiazole-4-carboxylate Openeye Name: [2-hydroxy-3-sulfanyl-1-(sulfanylmethyl)propyl] 2-[(2-isopropoxyphenoxy)methyl]thiazole-4-carboxylate CAS Name: 2-[(2-propan-2-yloxyphenoxy)methyl]-4-thiazolecarboxylic acid (3-hydroxy-1,4-dimercaptobutan-2-yl) ester IUPAC Name: [3-hydroxy-1,4-bis(sulfanyl)butan-2-yl] 2-[(2-propan-2-yloxyphenoxy)methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[(2-isopropoxyphenoxy)methyl]thiazole-4-carboxylic acid [2-hydroxy-3-mercapto-1-(mercaptomethyl)propyl] ester Formula: C18H23NO5S3 MolecularWeight: 429.57392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1OCC2=NC(=CS2)C(=O)OC(CS)C(CS)O

Isomeric SMILES

CC(C)OC1=CC=CC=C1OCC2=NC(=CS2)C(=O)OC(CS)C(CS)O

InChI

InChI=1S/C18H23NO5S3/c1-11(2)23-15-6-4-3-5-14(15)22-7-17-19-12(10-27-17)18(21)24-16(9-26)13(20)8-25/h3-6,10-11,13,16,20,25-26H,7-9H2,1-2H3