2-(2-butan-2-ylimino-4-oxidanylidene-3-phenyl-1,3-thiazolidin-5-yl)ethanoic acid; cyclohexanamine

Systemtic Name: 2-(2-butan-2-ylimino-4-oxidanylidene-3-phenyl-1,3-thiazolidin-5-yl)ethanoic acid; cyclohexanamine Openeye Name: cyclohexanamine; 2-(4-oxo-3-phenyl-2-sec-butylimino-thiazolidin-5-yl)acetic acid CAS Name: 2-(2-butan-2-ylimino-4-oxo-3-phenyl-5-thiazolidinyl)acetic acid; cyclohexanamine IUPAC Name: 2-(2-butan-2-ylimino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)acetic acid; cyclohexanamine Traditional Name: cyclohexylamine; 2-(4-keto-3-phenyl-2-sec-butylimino-thiazolidin-5-yl)acetic acid Formula: C21H31N3O3S MolecularWeight: 405.55414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N=C1N(C(=O)C(S1)CC(=O)O)C2=CC=CC=C2.C1CCC(CC1)N

Isomeric SMILES

CCC(C)N=C1N(C(=O)C(S1)CC(=O)O)C2=CC=CC=C2.C1CCC(CC1)N

InChI

InChI=1S/C15H18N2O3S.C6H13N/c1-3-10(2)16-15-17(11-7-5-4-6-8-11)14(20)12(21-15)9-13(18)19;7-6-4-2-1-3-5-6/h4-8,10,12H,3,9H2,1-2H3,(H,18,19);6H,1-5,7H2