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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO3S/c1-3-4-10-15(19)18(2)13-11-14(22-16(13)17(20)21)12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H,20,21)