4-[(5-chloranyl-1-benzothiophen-3-yl)methylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(5-chloranyl-1-benzothiophen-3-yl)methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(5-chlorobenzothiophen-3-yl)methylamino]-4-oxo-butanoic acid CAS Name: 4-[(5-chloro-1-benzothiophen-3-yl)methylamino]-4-oxobutanoic acid IUPAC Name: 4-[(5-chloro-1-benzothiophen-3-yl)methylamino]-4-oxobutanoic acid Traditional Name: 4-[(5-chlorobenzothiophen-3-yl)methylamino]-4-keto-butyric acid Formula: C13H12ClNO3S MolecularWeight: 297.75728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)C(=CS2)CNC(=O)CCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1Cl)C(=CS2)CNC(=O)CCC(=O)O

InChI

InChI=1S/C13H12ClNO3S/c14-9-1-2-11-10(5-9)8(7-19-11)6-15-12(16)3-4-13(17)18/h1-2,5,7H,3-4,6H2,(H,15,16)(H,17,18)