4-[2-[(5R)-3-cyclohexyl-2-ethylimino-4-oxidanylidene-1,3-thiazolidin-5-yl]ethanoylamino]benzoate

Systemtic Name: 4-[2-[(5R)-3-cyclohexyl-2-ethylimino-4-oxidanylidene-1,3-thiazolidin-5-yl]ethanoylamino]benzoate Openeye Name: 4-[[2-[(5R)-3-cyclohexyl-2-ethylimino-4-oxo-thiazolidin-5-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[(5R)-3-cyclohexyl-2-ethylimino-4-oxo-5-thiazolidinyl]-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-[(5R)-3-cyclohexyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5R)-3-cyclohexyl-2-ethylimino-4-keto-thiazolidin-5-yl]acetyl]amino]benzoate Formula: C20H24N3O4S- MolecularWeight: 402.48726

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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-])C3CCCCC3

Isomeric SMILES

CCN=C1N(C(=O)[C@H](S1)CC(=O)NC2=CC=C(C=C2)C(=O)[O-])C3CCCCC3

InChI

InChI=1S/C20H25N3O4S/c1-2-21-20-23(15-6-4-3-5-7-15)18(25)16(28-20)12-17(24)22-14-10-8-13(9-11-14)19(26)27/h8-11,15-16H,2-7,12H2,1H3,(H,22,24)(H,26,27)/p-1/t16-/m1/s1