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

Systemtic Name: 4-[2-[4-oxidanylidene-2-(2-pentan-3-ylidenehydrazinyl)-1,3-thiazol-5-yl]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[2-[2-(1-ethylpropylidene)hydrazino]-4-oxo-thiazol-5-yl]acetyl]amino]benzoic acid CAS Name: 4-[[1-oxo-2-[4-oxo-2-(2-pentan-3-ylidenehydrazinyl)-5-thiazolyl]ethyl]amino]benzoic acid IUPAC Name: 4-[[2-[4-oxo-2-(2-pentan-3-ylidenehydrazinyl)-1,3-thiazol-5-yl]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[2-[N'-(1-ethylpropylidene)hydrazino]-4-keto-2-thiazolin-5-yl]acetyl]amino]benzoic acid Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O4S/c1-3-11(4-2)20-21-17-19-15(23)13(26-17)9-14(22)18-12-7-5-10(6-8-12)16(24)25/h5-8,13H,3-4,9H2,1-2H3,(H,18,22)(H,24,25)(H,19,21,23)