methyl 2-(2-oxidanylpropan-2-yl)-2,3-dihydro-1-benzothiophene-7-carboxylate

Systemtic Name: methyl 2-(2-oxidanylpropan-2-yl)-2,3-dihydro-1-benzothiophene-7-carboxylate Openeye Name: methyl 2-(1-hydroxy-1-methyl-ethyl)-2,3-dihydrobenzothiophene-7-carboxylate CAS Name: 2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzothiophene-7-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzothiophene-7-carboxylate Traditional Name: 2-(1-hydroxy-1-methyl-ethyl)-2,3-dihydrobenzothiophene-7-carboxylic acid methyl ester Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1CC2=CC=CC(=C2S1)C(=O)OC)O

Isomeric SMILES

CC(C)(C1CC2=CC=CC(=C2S1)C(=O)OC)O

InChI

InChI=1S/C13H16O3S/c1-13(2,15)10-7-8-5-4-6-9(11(8)17-10)12(14)16-3/h4-6,10,15H,7H2,1-3H3