ethyl 2-[(4-methylphenyl)sulfonylamino]-3-[[4-[2-[2-(4-methylsulfanylphenyl)-4-oxidanylidene-chromen-3-yl]oxyethoxy]phenyl]carbonylamino]propanoate

Systemtic Name: ethyl 2-[(4-methylphenyl)sulfonylamino]-3-[[4-[2-[2-(4-methylsulfanylphenyl)-4-oxidanylidene-chromen-3-yl]oxyethoxy]phenyl]carbonylamino]propanoate Openeye Name: ethyl 3-[[4-[2-[2-(4-methylsulfanylphenyl)-4-oxo-chromen-3-yl]oxyethoxy]benzoyl]amino]-2-(p-tolylsulfonylamino)propanoate CAS Name: 2-[(4-methylphenyl)sulfonylamino]-3-[[[4-[2-[[2-[4-(methylthio)phenyl]-4-oxo-1-benzopyran-3-yl]oxy]ethoxy]phenyl]-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-methylphenyl)sulfonylamino]-3-[[4-[2-[2-(4-methylsulfanylphenyl)-4-oxochromen-3-yl]oxyethoxy]benzoyl]amino]propanoate Traditional Name: 3-[[4-[2-[4-keto-2-[4-(methylthio)phenyl]chromen-3-yl]oxyethoxy]benzoyl]amino]-2-(tosylamino)propionic acid ethyl ester Formula: C37H36N2O9S2 MolecularWeight: 716.81974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CNC(=O)C1=CC=C(C=C1)OCCOC2=C(OC3=CC=CC=C3C2=O)C4=CC=C(C=C4)SC)NS(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CCOC(=O)C(CNC(=O)C1=CC=C(C=C1)OCCOC2=C(OC3=CC=CC=C3C2=O)C4=CC=C(C=C4)SC)NS(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C37H36N2O9S2/c1-4-45-37(42)31(39-50(43,44)29-19-9-24(2)10-20-29)23-38-36(41)26-11-15-27(16-12-26)46-21-22-47-35-33(40)30-7-5-6-8-32(30)48-34(35)25-13-17-28(49-3)18-14-25/h5-20,31,39H,4,21-23H2,1-3H3,(H,38,41)