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

Systemtic Name: 5-[(5-chloranyl-1-benzothiophen-3-yl)methylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[(5-chlorobenzothiophen-3-yl)methylamino]-5-oxo-pentanoic acid CAS Name: 5-[(5-chloro-1-benzothiophen-3-yl)methylamino]-5-oxopentanoic acid IUPAC Name: 5-[(5-chloro-1-benzothiophen-3-yl)methylamino]-5-oxopentanoic acid Traditional Name: 5-[(5-chlorobenzothiophen-3-yl)methylamino]-5-keto-valeric acid Formula: C14H14ClNO3S MolecularWeight: 311.78386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClNO3S/c15-10-4-5-12-11(6-10)9(8-20-12)7-16-13(17)2-1-3-14(18)19/h4-6,8H,1-3,7H2,(H,16,17)(H,18,19)