4-[2-[(5R)-3-ethyl-2-ethylimino-4-oxidanylidene-1,3-thiazolidin-5-yl]ethanoylamino]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN=C1N(C(=O)C(S1)CC(=O)NC2=CC=C(C=C2)C(=O)O)CC

Isomeric SMILES

CCN=C1N(C(=O)[C@H](S1)CC(=O)NC2=CC=C(C=C2)C(=O)O)CC

InChI

InChI=1S/C16H19N3O4S/c1-3-17-16-19(4-2)14(21)12(24-16)9-13(20)18-11-7-5-10(6-8-11)15(22)23/h5-8,12H,3-4,9H2,1-2H3,(H,18,20)(H,22,23)/t12-/m1/s1