3,5-bis(chloranyl)-2-[2-(1-cyclopropylimidazol-2-yl)sulfanylethanoylamino]benzoic acid

Systemtic Name: 3,5-bis(chloranyl)-2-[2-(1-cyclopropylimidazol-2-yl)sulfanylethanoylamino]benzoic acid Openeye Name: 3,5-dichloro-2-[[2-(1-cyclopropylimidazol-2-yl)sulfanylacetyl]amino]benzoic acid CAS Name: 3,5-dichloro-2-[[2-[(1-cyclopropyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3,5-dichloro-2-[[2-(1-cyclopropylimidazol-2-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 3,5-dichloro-2-[[2-[(1-cyclopropylimidazol-2-yl)thio]acetyl]amino]benzoic acid Formula: C15H13Cl2N3O3S MolecularWeight: 386.25302

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=CN=C2SCC(=O)NC3=C(C=C(C=C3C(=O)O)Cl)Cl

Isomeric SMILES

C1CC1N2C=CN=C2SCC(=O)NC3=C(C=C(C=C3C(=O)O)Cl)Cl

InChI

InChI=1S/C15H13Cl2N3O3S/c16-8-5-10(14(22)23)13(11(17)6-8)19-12(21)7-24-15-18-3-4-20(15)9-1-2-9/h3-6,9H,1-2,7H2,(H,19,21)(H,22,23)