2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(3-chlorobenzothiophene-2-carbonyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(3-chlorobenzothiophene-2-carbonyl)amino]-4-(methylthio)butyric acid Formula: C14H14ClNO3S2 MolecularWeight: 343.84886

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C2=CC=CC=C2S1)Cl

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C2=CC=CC=C2S1)Cl

InChI

InChI=1S/C14H14ClNO3S2/c1-20-7-6-9(14(18)19)16-13(17)12-11(15)8-4-2-3-5-10(8)21-12/h2-5,9H,6-7H2,1H3,(H,16,17)(H,18,19)