cyclohexylazanium; 2-[3-ethyl-2-(4-ethylphenyl)imino-4-oxidanylidene-1,3-thiazolidin-5-yl]ethanoate

Systemtic Name: cyclohexylazanium; 2-[3-ethyl-2-(4-ethylphenyl)imino-4-oxidanylidene-1,3-thiazolidin-5-yl]ethanoate Openeye Name: cyclohexylammonium; 2-[3-ethyl-2-(4-ethylphenyl)imino-4-oxo-thiazolidin-5-yl]acetate CAS Name: cyclohexylammonium; 2-[3-ethyl-2-(4-ethylphenyl)imino-4-oxo-5-thiazolidinyl]acetate IUPAC Name: cyclohexylazanium; 2-[3-ethyl-2-(4-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetate Traditional Name: cyclohexylammonium; 2-[3-ethyl-2-(4-ethylphenyl)imino-4-keto-thiazolidin-5-yl]acetate Formula: C21H31N3O3S MolecularWeight: 405.55414

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N=C2N(C(=O)C(S2)CC(=O)[O-])CC.C1CCC(CC1)[NH3+]

Isomeric SMILES

CCC1=CC=C(C=C1)N=C2N(C(=O)C(S2)CC(=O)[O-])CC.C1CCC(CC1)[NH3+]

InChI

InChI=1S/C15H18N2O3S.C6H13N/c1-3-10-5-7-11(8-6-10)16-15-17(4-2)14(20)12(21-15)9-13(18)19;7-6-4-2-1-3-5-6/h5-8,12H,3-4,9H2,1-2H3,(H,18,19);6H,1-5,7H2