[(2S)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl] 1-benzothiophene-2-carboxylate

Systemtic Name: [(2S)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl] 1-benzothiophene-2-carboxylate Openeye Name: [(1S)-2-(4-ethoxyphenyl)-1-methyl-2-oxo-ethyl] benzothiophene-2-carboxylate CAS Name: 1-benzothiophene-2-carboxylic acid [(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 1-benzothiophene-2-carboxylate Traditional Name: benzothiophene-2-carboxylic acid [(1S)-2-keto-1-methyl-2-p-phenetyl-ethyl] ester Formula: C20H18O4S MolecularWeight: 354.41952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC3=CC=CC=C3S2

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)C2=CC3=CC=CC=C3S2

InChI

InChI=1S/C20H18O4S/c1-3-23-16-10-8-14(9-11-16)19(21)13(2)24-20(22)18-12-15-6-4-5-7-17(15)25-18/h4-13H,3H2,1-2H3/t13-/m0/s1