4-chloranyl-2-[2-[(4-nitrophenyl)methylsulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 4-chloranyl-2-[2-[(4-nitrophenyl)methylsulfanyl]ethanoylamino]benzoic acid Openeye Name: 4-chloro-2-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]benzoic acid CAS Name: 4-chloro-2-[[2-[(4-nitrophenyl)methylthio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-chloro-2-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]benzoic acid Traditional Name: 4-chloro-2-[[2-[(4-nitrobenzyl)thio]acetyl]amino]benzoic acid Formula: C16H13ClN2O5S MolecularWeight: 380.80282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCC(=O)NC2=C(C=CC(=C2)Cl)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSCC(=O)NC2=C(C=CC(=C2)Cl)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H13ClN2O5S/c17-11-3-6-13(16(21)22)14(7-11)18-15(20)9-25-8-10-1-4-12(5-2-10)19(23)24/h1-7H,8-9H2,(H,18,20)(H,21,22)