2-[(3-chloranyl-1-benzothiophen-2-yl)methylamino]-2-methyl-pentanoic acid

Systemtic Name: 2-[(3-chloranyl-1-benzothiophen-2-yl)methylamino]-2-methyl-pentanoic acid Openeye Name: 2-[(3-chlorobenzothiophen-2-yl)methylamino]-2-methyl-pentanoic acid CAS Name: 2-[(3-chloro-1-benzothiophen-2-yl)methylamino]-2-methylpentanoic acid IUPAC Name: 2-[(3-chloro-1-benzothiophen-2-yl)methylamino]-2-methylpentanoic acid Traditional Name: 2-[(3-chlorobenzothiophen-2-yl)methylamino]-2-methyl-valeric acid Formula: C15H18ClNO2S MolecularWeight: 311.82692

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)O)NCC1=C(C2=CC=CC=C2S1)Cl

Isomeric SMILES

CCCC(C)(C(=O)O)NCC1=C(C2=CC=CC=C2S1)Cl

InChI

InChI=1S/C15H18ClNO2S/c1-3-8-15(2,14(18)19)17-9-12-13(16)10-6-4-5-7-11(10)20-12/h4-7,17H,3,8-9H2,1-2H3,(H,18,19)