3-[methyl(3-methylbutanoyl)amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[methyl(3-methylbutanoyl)amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[methyl(3-methylbutanoyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[methyl-(3-methyl-1-oxobutyl)amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[methyl(3-methylbutanoyl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[isovaleryl(methyl)amino]-5-phenyl-2-thenoic acid Formula: C17H19NO3S MolecularWeight: 317.40266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO3S/c1-11(2)9-15(19)18(3)13-10-14(22-16(13)17(20)21)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,20,21)