[(1R)-2-methoxy-2-oxidanylidene-1-phenyl-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [(1R)-2-methoxy-2-oxidanylidene-1-phenyl-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [(1R)-2-methoxy-2-oxo-1-phenyl-ethyl] 4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [(1R)-2-methoxy-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-methoxy-2-oxo-1-phenylethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [(1R)-2-keto-2-methoxy-1-phenyl-ethyl] ester Formula: C18H18O4S MolecularWeight: 330.39812

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)OC(=O)C2=CSC3=C2CCCC3

Isomeric SMILES

COC(=O)[C@@H](C1=CC=CC=C1)OC(=O)C2=CSC3=C2CCCC3

InChI

InChI=1S/C18H18O4S/c1-21-18(20)16(12-7-3-2-4-8-12)22-17(19)14-11-23-15-10-6-5-9-13(14)15/h2-4,7-8,11,16H,5-6,9-10H2,1H3/t16-/m1/s1