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

Systemtic Name: 5-[(5-chloranyl-1-benzothiophen-3-yl)methylamino]-3,3-dimethyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-[(5-chlorobenzothiophen-3-yl)methylamino]-3,3-dimethyl-5-oxo-pentanoic acid CAS Name: 5-[(5-chloro-1-benzothiophen-3-yl)methylamino]-3,3-dimethyl-5-oxopentanoic acid IUPAC Name: 5-[(5-chloro-1-benzothiophen-3-yl)methylamino]-3,3-dimethyl-5-oxopentanoic acid Traditional Name: 5-[(5-chlorobenzothiophen-3-yl)methylamino]-5-keto-3,3-dimethyl-valeric acid Formula: C16H18ClNO3S MolecularWeight: 339.83702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)NCC1=CSC2=C1C=C(C=C2)Cl)CC(=O)O

Isomeric SMILES

CC(C)(CC(=O)NCC1=CSC2=C1C=C(C=C2)Cl)CC(=O)O

InChI

InChI=1S/C16H18ClNO3S/c1-16(2,7-15(20)21)6-14(19)18-8-10-9-22-13-4-3-11(17)5-12(10)13/h3-5,9H,6-8H2,1-2H3,(H,18,19)(H,20,21)