4-[2-(3-butyl-2-butylimino-4-oxidanylidene-1,3-thiazolidin-5-yl)ethanoylamino]benzoic acid

Systemtic Name: 4-[2-(3-butyl-2-butylimino-4-oxidanylidene-1,3-thiazolidin-5-yl)ethanoylamino]benzoic acid Openeye Name: 4-[[2-(3-butyl-2-butylimino-4-oxo-thiazolidin-5-yl)acetyl]amino]benzoic acid CAS Name: 4-[[2-(3-butyl-2-butylimino-4-oxo-5-thiazolidinyl)-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)acetyl]amino]benzoic acid Traditional Name: 4-[[2-(3-butyl-2-butylimino-4-keto-thiazolidin-5-yl)acetyl]amino]benzoic acid Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C1N(C(=O)C(S1)CC(=O)NC2=CC=C(C=C2)C(=O)O)CCCC

Isomeric SMILES

CCCCN=C1N(C(=O)C(S1)CC(=O)NC2=CC=C(C=C2)C(=O)O)CCCC

InChI

InChI=1S/C20H27N3O4S/c1-3-5-11-21-20-23(12-6-4-2)18(25)16(28-20)13-17(24)22-15-9-7-14(8-10-15)19(26)27/h7-10,16H,3-6,11-13H2,1-2H3,(H,22,24)(H,26,27)