(2R)-2-[4-(3-chlorophenyl)-2-phenylazanyl-1,3-thiazol-3-ium-3-yl]-3-phenyl-propanoic acid

Systemtic Name: (2R)-2-[4-(3-chlorophenyl)-2-phenylazanyl-1,3-thiazol-3-ium-3-yl]-3-phenyl-propanoic acid Openeye Name: (2R)-2-[2-anilino-4-(3-chlorophenyl)thiazol-3-ium-3-yl]-3-phenyl-propanoic acid CAS Name: (2R)-2-[2-anilino-4-(3-chlorophenyl)-3-thiazol-3-iumyl]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[2-anilino-4-(3-chlorophenyl)-1,3-thiazol-3-ium-3-yl]-3-phenylpropanoic acid Traditional Name: (2R)-2-[2-anilino-4-(3-chlorophenyl)thiazol-3-ium-3-yl]-3-phenyl-propionic acid Formula: C24H20ClN2O2S+ MolecularWeight: 435.9458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)[N+]2=C(SC=C2C3=CC(=CC=C3)Cl)NC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C(=O)O)[N+]2=C(SC=C2C3=CC(=CC=C3)Cl)NC4=CC=CC=C4

InChI

InChI=1S/C24H19ClN2O2S/c25-19-11-7-10-18(15-19)22-16-30-24(26-20-12-5-2-6-13-20)27(22)21(23(28)29)14-17-8-3-1-4-9-17/h1-13,15-16,21H,14H2,(H,28,29)/p+1/t21-/m1/s1