S-[7-oxidanylidene-7-[(4-phenyl-1,3-thiazol-2-yl)amino]heptyl] 2-methoxy-2-phenyl-ethanethioate

Systemtic Name: S-[7-oxidanylidene-7-[(4-phenyl-1,3-thiazol-2-yl)amino]heptyl] 2-methoxy-2-phenyl-ethanethioate Openeye Name: S-[7-oxo-7-[(4-phenylthiazol-2-yl)amino]heptyl] 2-methoxy-2-phenyl-ethanethioate CAS Name: 2-methoxy-2-phenylethanethioic acid S-[7-oxo-7-[(4-phenyl-2-thiazolyl)amino]heptyl] ester IUPAC Name: S-[7-oxo-7-[(4-phenyl-1,3-thiazol-2-yl)amino]heptyl] 2-methoxy-2-phenylethanethioate Traditional Name: 2-methoxy-2-phenyl-ethanethioic acid S-[7-keto-7-[(4-phenylthiazol-2-yl)amino]heptyl] ester Formula: C25H28N2O3S2 MolecularWeight: 468.63142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(C1=CC=CC=C1)C(=O)SCCCCCCC(=O)NC2=NC(=CS2)C3=CC=CC=C3

Isomeric SMILES

COC(C1=CC=CC=C1)C(=O)SCCCCCCC(=O)NC2=NC(=CS2)C3=CC=CC=C3

InChI

InChI=1S/C25H28N2O3S2/c1-30-23(20-14-8-5-9-15-20)24(29)31-17-11-3-2-10-16-22(28)27-25-26-21(18-32-25)19-12-6-4-7-13-19/h4-9,12-15,18,23H,2-3,10-11,16-17H2,1H3,(H,26,27,28)