5-[3-(3-chloranyl-4-methyl-phenyl)propanoylamino]thiophene-2-carboxylic acid

Systemtic Name: 5-[3-(3-chloranyl-4-methyl-phenyl)propanoylamino]thiophene-2-carboxylic acid Openeye Name: 5-[3-(3-chloro-4-methyl-phenyl)propanoylamino]thiophene-2-carboxylic acid CAS Name: 5-[[3-(3-chloro-4-methylphenyl)-1-oxopropyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-(3-chloro-4-methylphenyl)propanoylamino]thiophene-2-carboxylic acid Traditional Name: 5-[3-(3-chloro-4-methyl-phenyl)propanoylamino]-2-thenoic acid Formula: C15H14ClNO3S MolecularWeight: 323.79456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CCC(=O)NC2=CC=C(S2)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CCC(=O)NC2=CC=C(S2)C(=O)O)Cl

InChI

InChI=1S/C15H14ClNO3S/c1-9-2-3-10(8-11(9)16)4-6-13(18)17-14-7-5-12(21-14)15(19)20/h2-3,5,7-8H,4,6H2,1H3,(H,17,18)(H,19,20)