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

Systemtic Name: 3-[butanoyl(methyl)amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[butanoyl(methyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[methyl(1-oxobutyl)amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[butanoyl(methyl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[butyryl(methyl)amino]-5-phenyl-2-thenoic acid Formula: C16H17NO3S MolecularWeight: 303.37608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO3S/c1-3-7-14(18)17(2)12-10-13(21-15(12)16(19)20)11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3,(H,19,20)