4-[2-(2-methylimino-4-oxidanylidene-3-propan-2-yl-1,3-thiazolidin-5-yl)ethanoylamino]benzoic acid

Systemtic Name: 4-[2-(2-methylimino-4-oxidanylidene-3-propan-2-yl-1,3-thiazolidin-5-yl)ethanoylamino]benzoic acid Openeye Name: 4-[[2-(3-isopropyl-2-methylimino-4-oxo-thiazolidin-5-yl)acetyl]amino]benzoic acid CAS Name: 4-[[2-(2-methylimino-4-oxo-3-propan-2-yl-5-thiazolidinyl)-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(2-methylimino-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-yl)acetyl]amino]benzoic acid Traditional Name: 4-[[2-(3-isopropyl-4-keto-2-methylimino-thiazolidin-5-yl)acetyl]amino]benzoic acid Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C(SC1=NC)CC(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)N1C(=O)C(SC1=NC)CC(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H19N3O4S/c1-9(2)19-14(21)12(24-16(19)17-3)8-13(20)18-11-6-4-10(5-7-11)15(22)23/h4-7,9,12H,8H2,1-3H3,(H,18,20)(H,22,23)