5-[3-(4-aminophenyl)sulfanylpropanoylamino]-2-chloranyl-benzoic acid

Systemtic Name: 5-[3-(4-aminophenyl)sulfanylpropanoylamino]-2-chloranyl-benzoic acid Openeye Name: 5-[3-(4-aminophenyl)sulfanylpropanoylamino]-2-chloro-benzoic acid CAS Name: 5-[[3-[(4-aminophenyl)thio]-1-oxopropyl]amino]-2-chlorobenzoic acid IUPAC Name: 5-[3-(4-aminophenyl)sulfanylpropanoylamino]-2-chlorobenzoic acid Traditional Name: 5-[3-[(4-aminophenyl)thio]propanoylamino]-2-chloro-benzoic acid Formula: C16H15ClN2O3S MolecularWeight: 350.8199

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N)SCCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1N)SCCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C16H15ClN2O3S/c17-14-6-3-11(9-13(14)16(21)22)19-15(20)7-8-23-12-4-1-10(18)2-5-12/h1-6,9H,7-8,18H2,(H,19,20)(H,21,22)