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

Systemtic Name: (2-methoxy-2-oxidanylidene-1-phenyl-ethyl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (2-methoxy-2-oxo-1-phenyl-ethyl) 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid (2-methoxy-2-oxo-1-phenylethyl) ester IUPAC Name: (2-methoxy-2-oxo-1-phenylethyl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid (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=CC3=C(S2)CCCC3

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1)OC(=O)C2=CC3=C(S2)CCCC3

InChI

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