[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-[(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C19H20FNO3S MolecularWeight: 361.430403

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C19H20FNO3S/c1-12-2-7-16-14(8-12)9-17(25-16)19(23)24-11-18(22)21-10-13-3-5-15(20)6-4-13/h3-6,9,12H,2,7-8,10-11H2,1H3,(H,21,22)