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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)SC2=CC=C(C=C2)N

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)SC2=CC=C(C=C2)N

InChI

InChI=1S/C16H15ClN2O3S/c1-9(23-12-5-2-10(18)3-6-12)15(20)19-11-4-7-14(17)13(8-11)16(21)22/h2-9H,18H2,1H3,(H,19,20)(H,21,22)