methyl 5-[(1S)-2-(1,3-benzodioxol-5-yl)-1-oxidanyl-2-oxidanylidene-ethyl]-2-methyl-4-oxidanyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-[(1S)-2-(1,3-benzodioxol-5-yl)-1-oxidanyl-2-oxidanylidene-ethyl]-2-methyl-4-oxidanyl-thiophene-3-carboxylate Openeye Name: methyl 5-[(1S)-2-(1,3-benzodioxol-5-yl)-1-hydroxy-2-oxo-ethyl]-4-hydroxy-2-methyl-thiophene-3-carboxylate CAS Name: 5-[(1S)-2-(1,3-benzodioxol-5-yl)-1-hydroxy-2-oxoethyl]-4-hydroxy-2-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[(1S)-2-(1,3-benzodioxol-5-yl)-1-hydroxy-2-oxoethyl]-4-hydroxy-2-methylthiophene-3-carboxylate Traditional Name: 5-[(1S)-2-(1,3-benzodioxol-5-yl)-1-hydroxy-2-keto-ethyl]-4-hydroxy-2-methyl-thiophene-3-carboxylic acid methyl ester Formula: C16H14O7S MolecularWeight: 350.34316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)C(C(=O)C2=CC3=C(C=C2)OCO3)O)O)C(=O)OC

Isomeric SMILES

CC1=C(C(=C(S1)[C@H](C(=O)C2=CC3=C(C=C2)OCO3)O)O)C(=O)OC

InChI

InChI=1S/C16H14O7S/c1-7-11(16(20)21-2)13(18)15(24-7)14(19)12(17)8-3-4-9-10(5-8)23-6-22-9/h3-5,14,18-19H,6H2,1-2H3/t14-/m0/s1