(2R)-2-[2-[(4-ethoxyphenyl)amino]-4-phenyl-1,3-thiazol-3-ium-3-yl]-3-phenyl-propanoate

Systemtic Name: (2R)-2-[2-[(4-ethoxyphenyl)amino]-4-phenyl-1,3-thiazol-3-ium-3-yl]-3-phenyl-propanoate Openeye Name: (2R)-2-[2-(4-ethoxyanilino)-4-phenyl-thiazol-3-ium-3-yl]-3-phenyl-propanoate CAS Name: (2R)-2-[2-(4-ethoxyanilino)-4-phenyl-3-thiazol-3-iumyl]-3-phenylpropanoate IUPAC Name: (2R)-2-[2-(4-ethoxyanilino)-4-phenyl-1,3-thiazol-3-ium-3-yl]-3-phenylpropanoate Traditional Name: (2R)-3-phenyl-2-[4-phenyl-2-(p-phenetidino)thiazol-3-ium-3-yl]propionate Formula: C26H24N2O3S MolecularWeight: 444.54536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=[N+](C(=CS2)C3=CC=CC=C3)C(CC4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=[N+](C(=CS2)C3=CC=CC=C3)[C@H](CC4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C26H24N2O3S/c1-2-31-22-15-13-21(14-16-22)27-26-28(24(18-32-26)20-11-7-4-8-12-20)23(25(29)30)17-19-9-5-3-6-10-19/h3-16,18,23H,2,17H2,1H3,(H,29,30)/t23-/m1/s1