(E)-[4-(4-ethoxycarbonyl-1-oxidanyl-1-oxidanylidene-octan-4-yl)-3H-1,3-thiazol-2-ylidene]-(4-ethoxyphenyl)azanium

Systemtic Name: (E)-[4-(4-ethoxycarbonyl-1-oxidanyl-1-oxidanylidene-octan-4-yl)-3H-1,3-thiazol-2-ylidene]-(4-ethoxyphenyl)azanium Openeye Name: (E)-[4-[1-(2-carboxyethyl)-1-ethoxycarbonyl-pentyl]-3H-thiazol-2-ylidene]-(4-ethoxyphenyl)ammonium CAS Name: (E)-[4-(4-ethoxycarbonyl-1-hydroxy-1-oxooctan-4-yl)-3H-thiazol-2-ylidene]-(4-ethoxyphenyl)ammonium IUPAC Name: (E)-[4-(4-ethoxycarbonyl-1-hydroxy-1-oxooctan-4-yl)-3H-1,3-thiazol-2-ylidene]-(4-ethoxyphenyl)azanium Traditional Name: (E)-[4-[1-carbethoxy-1-(2-carboxyethyl)pentyl]-4-thiazolin-2-ylidene]-p-phenetyl-ammonium Formula: C22H31N2O5S+ MolecularWeight: 435.55694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC(=O)O)(C1=CSC(=[NH+]C2=CC=C(C=C2)OCC)N1)C(=O)OCC

Isomeric SMILES

CCCCC(CCC(=O)O)(C1=CS/C(=[NH+]/C2=CC=C(C=C2)OCC)/N1)C(=O)OCC

InChI

InChI=1S/C22H30N2O5S/c1-4-7-13-22(14-12-19(25)26,20(27)29-6-3)18-15-30-21(24-18)23-16-8-10-17(11-9-16)28-5-2/h8-11,15H,4-7,12-14H2,1-3H3,(H,23,24)(H,25,26)/p+1