methyl 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-[(4-fluorophenyl)thio]-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-[(4-fluorophenyl)thio]propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C19H20FNO3S2 MolecularWeight: 393.495403

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCSC3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCSC3=CC=C(C=C3)F

InChI

InChI=1S/C19H20FNO3S2/c1-24-19(23)17-14-4-2-3-5-15(14)26-18(17)21-16(22)10-11-25-13-8-6-12(20)7-9-13/h6-9H,2-5,10-11H2,1H3,(H,21,22)