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

Systemtic Name: 4-[2-[(5R)-4-oxidanylidene-2-(2-pentan-3-ylidenehydrazinyl)-1,3-thiazol-5-yl]ethanoylamino]benzoate Openeye Name: 4-[[2-[(5R)-2-[2-(1-ethylpropylidene)hydrazino]-4-oxo-thiazol-5-yl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(5R)-4-oxo-2-(2-pentan-3-ylidenehydrazinyl)-5-thiazolyl]ethyl]amino]benzoate IUPAC Name: 4-[[2-[(5R)-4-oxo-2-(2-pentan-3-ylidenehydrazinyl)-1,3-thiazol-5-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5R)-2-[N'-(1-ethylpropylidene)hydrazino]-4-keto-2-thiazolin-5-yl]acetyl]amino]benzoate Formula: C17H19N4O4S- MolecularWeight: 375.42216

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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@H](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)/p-1/t13-/m1/s1