5-(1-benzothiophen-3-ylmethylamino)-3,3-dimethyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(1-benzothiophen-3-ylmethylamino)-3,3-dimethyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-(benzothiophen-3-ylmethylamino)-3,3-dimethyl-5-oxo-pentanoic acid CAS Name: 5-(1-benzothiophen-3-ylmethylamino)-3,3-dimethyl-5-oxopentanoic acid IUPAC Name: 5-(1-benzothiophen-3-ylmethylamino)-3,3-dimethyl-5-oxopentanoic acid Traditional Name: 5-(benzothiophen-3-ylmethylamino)-5-keto-3,3-dimethyl-valeric acid Formula: C16H19NO3S MolecularWeight: 305.39196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)NCC1=CSC2=CC=CC=C21)CC(=O)O

Isomeric SMILES

CC(C)(CC(=O)NCC1=CSC2=CC=CC=C21)CC(=O)O

InChI

InChI=1S/C16H19NO3S/c1-16(2,8-15(19)20)7-14(18)17-9-11-10-21-13-6-4-3-5-12(11)13/h3-6,10H,7-9H2,1-2H3,(H,17,18)(H,19,20)