3-[2-[3-[methyl(2-methylpropanoyl)amino]phenyl]ethyl]thiophene-2-carboxylic acid

Systemtic Name: 3-[2-[3-[methyl(2-methylpropanoyl)amino]phenyl]ethyl]thiophene-2-carboxylic acid Openeye Name: 3-[2-[3-[methyl(2-methylpropanoyl)amino]phenyl]ethyl]thiophene-2-carboxylic acid CAS Name: 3-[2-[3-[methyl-(2-methyl-1-oxopropyl)amino]phenyl]ethyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[2-[3-[methyl(2-methylpropanoyl)amino]phenyl]ethyl]thiophene-2-carboxylic acid Traditional Name: 3-[2-[3-[isobutyryl(methyl)amino]phenyl]ethyl]-2-thenoic acid Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N(C)C1=CC=CC(=C1)CCC2=C(SC=C2)C(=O)O

Isomeric SMILES

CC(C)C(=O)N(C)C1=CC=CC(=C1)CCC2=C(SC=C2)C(=O)O

InChI

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