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

Systemtic Name: [2-[(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-[(3-fluoro-4-methoxy-phenyl)methyl-methyl-amino]-2-oxo-ethyl] 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-[(3-fluoro-4-methoxy-benzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C20H22FNO4S MolecularWeight: 391.456383

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=C(C=C1)OC)F)C(=O)COC(=O)C2=CC3=C(S2)CCCC3

Isomeric SMILES

CN(CC1=CC(=C(C=C1)OC)F)C(=O)COC(=O)C2=CC3=C(S2)CCCC3

InChI

InChI=1S/C20H22FNO4S/c1-22(11-13-7-8-16(25-2)15(21)9-13)19(23)12-26-20(24)18-10-14-5-3-4-6-17(14)27-18/h7-10H,3-6,11-12H2,1-2H3