ethane; 4-[2-[4-oxidanylidene-2-(2-propan-2-ylidenehydrazinyl)-1,3-thiazol-5-yl]ethanoylamino]benzoic acid

Systemtic Name: ethane; 4-[2-[4-oxidanylidene-2-(2-propan-2-ylidenehydrazinyl)-1,3-thiazol-5-yl]ethanoylamino]benzoic acid Openeye Name: ethane; 4-[[2-[2-(2-isopropylidenehydrazino)-4-oxo-thiazol-5-yl]acetyl]amino]benzoic acid CAS Name: ethane; 4-[[1-oxo-2-[4-oxo-2-(2-propan-2-ylidenehydrazinyl)-5-thiazolyl]ethyl]amino]benzoic acid IUPAC Name: ethane; 4-[[2-[4-oxo-2-(2-propan-2-ylidenehydrazinyl)-1,3-thiazol-5-yl]acetyl]amino]benzoic acid Traditional Name: ethane; 4-[[2-[2-(N'-isopropylidenehydrazino)-4-keto-2-thiazolin-5-yl]acetyl]amino]benzoic acid Formula: C19H28N4O4S MolecularWeight: 408.51502

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Descriptors Computed from Structure

Canonical SMILES:

CC.CC.CC(=NNC1=NC(=O)C(S1)CC(=O)NC2=CC=C(C=C2)C(=O)O)C

Isomeric SMILES

CC.CC.CC(=NNC1=NC(=O)C(S1)CC(=O)NC2=CC=C(C=C2)C(=O)O)C

InChI

InChI=1S/C15H16N4O4S.2C2H6/c1-8(2)18-19-15-17-13(21)11(24-15)7-12(20)16-10-5-3-9(4-6-10)14(22)23;2*1-2/h3-6,11H,7H2,1-2H3,(H,16,20)(H,22,23)(H,17,19,21);2*1-2H3