methyl 2,3-bis(1-oxidanyl-1-thiophen-2-yl-ethyl)-2,3-dihydrothiophene-5-carboxylate

Systemtic Name: methyl 2,3-bis(1-oxidanyl-1-thiophen-2-yl-ethyl)-2,3-dihydrothiophene-5-carboxylate Openeye Name: methyl 2,3-bis[1-hydroxy-1-(2-thienyl)ethyl]-2,3-dihydrothiophene-5-carboxylate CAS Name: 2,3-bis(1-hydroxy-1-thiophen-2-ylethyl)-2,3-dihydrothiophene-5-carboxylic acid methyl ester IUPAC Name: methyl 2,3-bis(1-hydroxy-1-thiophen-2-ylethyl)-2,3-dihydrothiophene-5-carboxylate Traditional Name: 2,3-bis[1-hydroxy-1-(2-thienyl)ethyl]-2,3-dihydrothiophene-5-carboxylic acid methyl ester Formula: C18H20O4S3 MolecularWeight: 396.544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C=C(SC1C(C)(C2=CC=CS2)O)C(=O)OC)(C3=CC=CS3)O

Isomeric SMILES

CC(C1C=C(SC1C(C)(C2=CC=CS2)O)C(=O)OC)(C3=CC=CS3)O

InChI

InChI=1S/C18H20O4S3/c1-17(20,13-6-4-8-23-13)11-10-12(16(19)22-3)25-15(11)18(2,21)14-7-5-9-24-14/h4-11,15,20-21H,1-3H3