2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]propanedioic acid

Systemtic Name: 2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]propanedioic acid Openeye Name: 2-[2-(tritylamino)thiazol-4-yl]propanedioic acid CAS Name: 2-[2-[(triphenylmethyl)amino]-4-thiazolyl]propanedioic acid IUPAC Name: 2-[2-(tritylamino)-1,3-thiazol-4-yl]propanedioic acid Traditional Name: 2-[2-(tritylamino)thiazol-4-yl]malonic acid Formula: C25H20N2O4S MolecularWeight: 444.5023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC(=CS4)C(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC(=CS4)C(C(=O)O)C(=O)O

InChI

InChI=1S/C25H20N2O4S/c28-22(29)21(23(30)31)20-16-32-24(26-20)27-25(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16,21H,(H,26,27)(H,28,29)(H,30,31)