3-[3-(4-methylphenyl)sulfanylpropanoylamino]thiophene-2-carboxylic acid

Systemtic Name: 3-[3-(4-methylphenyl)sulfanylpropanoylamino]thiophene-2-carboxylic acid Openeye Name: 3-[3-(p-tolylsulfanyl)propanoylamino]thiophene-2-carboxylic acid CAS Name: 3-[[3-[(4-methylphenyl)thio]-1-oxopropyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 3-[3-(4-methylphenyl)sulfanylpropanoylamino]thiophene-2-carboxylic acid Traditional Name: 3-[3-(p-tolylthio)propanoylamino]-2-thenoic acid Formula: C15H15NO3S2 MolecularWeight: 321.4145

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)NC2=C(SC=C2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)NC2=C(SC=C2)C(=O)O

InChI

InChI=1S/C15H15NO3S2/c1-10-2-4-11(5-3-10)20-9-7-13(17)16-12-6-8-21-14(12)15(18)19/h2-6,8H,7,9H2,1H3,(H,16,17)(H,18,19)