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

Systemtic Name: 3,3-dimethyl-5-[3-(methylamino)-5-phenyl-thiophen-2-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 3,3-dimethyl-5-[3-(methylamino)-5-phenyl-2-thienyl]-5-oxo-pentanoic acid CAS Name: 3,3-dimethyl-5-[3-(methylamino)-5-phenyl-2-thiophenyl]-5-oxopentanoic acid IUPAC Name: 3,3-dimethyl-5-[3-(methylamino)-5-phenylthiophen-2-yl]-5-oxopentanoic acid Traditional Name: 5-keto-3,3-dimethyl-5-[3-(methylamino)-5-phenyl-2-thienyl]valeric acid Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC)CC(=O)O

Isomeric SMILES

CC(C)(CC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC)CC(=O)O

InChI

InChI=1S/C18H21NO3S/c1-18(2,11-16(21)22)10-14(20)17-13(19-3)9-15(23-17)12-7-5-4-6-8-12/h4-9,19H,10-11H2,1-3H3,(H,21,22)