3,3-dimethyl-5-[(3-methylthiophen-2-yl)methylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 3,3-dimethyl-5-[(3-methylthiophen-2-yl)methylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 3,3-dimethyl-5-[(3-methyl-2-thienyl)methylamino]-5-oxo-pentanoic acid CAS Name: 3,3-dimethyl-5-[(3-methyl-2-thiophenyl)methylamino]-5-oxopentanoic acid IUPAC Name: 3,3-dimethyl-5-[(3-methylthiophen-2-yl)methylamino]-5-oxopentanoic acid Traditional Name: 5-keto-3,3-dimethyl-5-[(3-methyl-2-thienyl)methylamino]valeric acid Formula: C13H19NO3S MolecularWeight: 269.35986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CNC(=O)CC(C)(C)CC(=O)O

Isomeric SMILES

CC1=C(SC=C1)CNC(=O)CC(C)(C)CC(=O)O

InChI

InChI=1S/C13H19NO3S/c1-9-4-5-18-10(9)8-14-11(15)6-13(2,3)7-12(16)17/h4-5H,6-8H2,1-3H3,(H,14,15)(H,16,17)