3-[[2-oxidanylidene-3-(triphenylmethyl)-1,3-benzoxazol-6-yl]sulfanyl]pyrrolidine-1-carboxylic acid

Systemtic Name: 3-[[2-oxidanylidene-3-(triphenylmethyl)-1,3-benzoxazol-6-yl]sulfanyl]pyrrolidine-1-carboxylic acid Openeye Name: 3-[(2-oxo-3-trityl-1,3-benzoxazol-6-yl)sulfanyl]pyrrolidine-1-carboxylic acid CAS Name: 3-[[2-oxo-3-(triphenylmethyl)-1,3-benzoxazol-6-yl]thio]-1-pyrrolidinecarboxylic acid IUPAC Name: 3-[(2-oxo-3-trityl-1,3-benzoxazol-6-yl)sulfanyl]pyrrolidine-1-carboxylic acid Traditional Name: 3-[(2-keto-3-trityl-1,3-benzoxazol-6-yl)thio]pyrrolidine-1-carboxylic acid Formula: C31H26N2O4S MolecularWeight: 522.61414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1SC2=CC3=C(C=C2)N(C(=O)O3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)O

Isomeric SMILES

C1CN(CC1SC2=CC3=C(C=C2)N(C(=O)O3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)O

InChI

InChI=1S/C31H26N2O4S/c34-29(35)32-19-18-26(21-32)38-25-16-17-27-28(20-25)37-30(36)33(27)31(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-17,20,26H,18-19,21H2,(H,34,35)