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

Systemtic Name: 3-[3-(4-aminophenyl)sulfanylpropanoylamino]-4-chloranyl-benzoic acid Openeye Name: 3-[3-(4-aminophenyl)sulfanylpropanoylamino]-4-chloro-benzoic acid CAS Name: 3-[[3-[(4-aminophenyl)thio]-1-oxopropyl]amino]-4-chlorobenzoic acid IUPAC Name: 3-[3-(4-aminophenyl)sulfanylpropanoylamino]-4-chlorobenzoic acid Traditional Name: 3-[3-[(4-aminophenyl)thio]propanoylamino]-4-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=C(C=CC(=C2)C(=O)O)Cl

Isomeric SMILES

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

InChI

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