5-[[2-[(4-dimethylaminophenyl)carbonylamino]-1,3-thiazol-5-yl]sulfanylmethyl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[[2-[(4-dimethylaminophenyl)carbonylamino]-1,3-thiazol-5-yl]sulfanylmethyl]-2-oxidanyl-benzoic acid Openeye Name: 5-[[2-[[4-(dimethylamino)benzoyl]amino]thiazol-5-yl]sulfanylmethyl]-2-hydroxy-benzoic acid CAS Name: 5-[[[2-[[(4-dimethylaminophenyl)-oxomethyl]amino]-5-thiazolyl]thio]methyl]-2-hydroxybenzoic acid IUPAC Name: 5-[[2-[[4-(dimethylamino)benzoyl]amino]-1,3-thiazol-5-yl]sulfanylmethyl]-2-hydroxybenzoic acid Traditional Name: 5-[[[2-[[4-(dimethylamino)benzoyl]amino]thiazol-5-yl]thio]methyl]-2-hydroxy-benzoic acid Formula: C20H19N3O4S2 MolecularWeight: 429.51256

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)NC2=NC=C(S2)SCC3=CC(=C(C=C3)O)C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)NC2=NC=C(S2)SCC3=CC(=C(C=C3)O)C(=O)O

InChI

InChI=1S/C20H19N3O4S2/c1-23(2)14-6-4-13(5-7-14)18(25)22-20-21-10-17(29-20)28-11-12-3-8-16(24)15(9-12)19(26)27/h3-10,24H,11H2,1-2H3,(H,26,27)(H,21,22,25)