(3-fluoranyl-4-methoxy-phenyl)methyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C19H20FNO4S MolecularWeight: 377.429803

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C19H20FNO4S/c1-11(22)21-18-17(13-5-3-4-6-16(13)26-18)19(23)25-10-12-7-8-15(24-2)14(20)9-12/h7-9H,3-6,10H2,1-2H3,(H,21,22)