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

Systemtic Name: 2-[2-(4-chlorophenyl)sulfanylpropanoylamino]thiophene-3-carboxylic acid Openeye Name: 2-[2-(4-chlorophenyl)sulfanylpropanoylamino]thiophene-3-carboxylic acid CAS Name: 2-[[2-[(4-chlorophenyl)thio]-1-oxopropyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 2-[2-(4-chlorophenyl)sulfanylpropanoylamino]thiophene-3-carboxylic acid Traditional Name: 2-[2-[(4-chlorophenyl)thio]propanoylamino]-3-thenoic acid Formula: C14H12ClNO3S2 MolecularWeight: 341.83298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C(=O)O)SC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C(=O)NC1=C(C=CS1)C(=O)O)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H12ClNO3S2/c1-8(21-10-4-2-9(15)3-5-10)12(17)16-13-11(14(18)19)6-7-20-13/h2-8H,1H3,(H,16,17)(H,18,19)