4-[2-[2,3-bis(chloranyl)-4-sulfanyl-phenyl]prop-2-enoylamino]benzoic acid

Systemtic Name: 4-[2-[2,3-bis(chloranyl)-4-sulfanyl-phenyl]prop-2-enoylamino]benzoic acid Openeye Name: 4-[2-(2,3-dichloro-4-sulfanyl-phenyl)prop-2-enoylamino]benzoic acid CAS Name: 4-[[2-(2,3-dichloro-4-mercaptophenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[2-(2,3-dichloro-4-sulfanylphenyl)prop-2-enoylamino]benzoic acid Traditional Name: 4-[[2-(2,3-dichloro-4-mercapto-phenyl)acryloyl]amino]benzoic acid Formula: C16H11Cl2NO3S MolecularWeight: 368.23444

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=C(C(=C(C=C1)S)Cl)Cl)C(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C=C(C1=C(C(=C(C=C1)S)Cl)Cl)C(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H11Cl2NO3S/c1-8(11-6-7-12(23)14(18)13(11)17)15(20)19-10-4-2-9(3-5-10)16(21)22/h2-7,23H,1H2,(H,19,20)(H,21,22)