[2-oxidanylidene-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-benzamido-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: [2-oxidanylidene-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-benzamido-3-(phenylmethylsulfanyl)propanoate Openeye Name: [2-oxo-2-[(4-phenylthiazol-2-yl)amino]ethyl] 2-benzamido-3-benzylsulfanyl-propanoate CAS Name: 2-benzamido-3-(phenylmethylthio)propanoic acid [2-oxo-2-[(4-phenyl-2-thiazolyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-benzamido-3-benzylsulfanylpropanoate Traditional Name: 2-benzamido-3-(benzylthio)propionic acid [2-keto-2-[(4-phenylthiazol-2-yl)amino]ethyl] ester Formula: C28H25N3O4S2 MolecularWeight: 531.6458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(C(=O)OCC(=O)NC2=NC(=CS2)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CSCC(C(=O)OCC(=O)NC2=NC(=CS2)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H25N3O4S2/c32-25(31-28-30-23(19-37-28)21-12-6-2-7-13-21)16-35-27(34)24(18-36-17-20-10-4-1-5-11-20)29-26(33)22-14-8-3-9-15-22/h1-15,19,24H,16-18H2,(H,29,33)(H,30,31,32)