methyl (2S)-2-[(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[(3-chloro-6-fluoro-benzothiophene-2-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(3-chloro-6-fluoro-1-benzothiophen-2-yl)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(3-chloro-6-fluoro-benzothiophene-2-carbonyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C15H15ClFNO3S2 MolecularWeight: 375.865903

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=C(C2=C(S1)C=C(C=C2)F)Cl

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=C(C2=C(S1)C=C(C=C2)F)Cl

InChI

InChI=1S/C15H15ClFNO3S2/c1-21-15(20)10(5-6-22-2)18-14(19)13-12(16)9-4-3-8(17)7-11(9)23-13/h3-4,7,10H,5-6H2,1-2H3,(H,18,19)/t10-/m0/s1