methyl 4-[2-[[2-(1,3-benzoxazol-2-ylsulfanylmethyl)phenyl]carbonylamino]ethyl]benzoate

Systemtic Name: methyl 4-[2-[[2-(1,3-benzoxazol-2-ylsulfanylmethyl)phenyl]carbonylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[[2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoyl]amino]ethyl]benzoate CAS Name: 4-[2-[[[2-[(1,3-benzoxazol-2-ylthio)methyl]phenyl]-oxomethyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[[2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoyl]amino]ethyl]benzoate Traditional Name: 4-[2-[[2-[(1,3-benzoxazol-2-ylthio)methyl]benzoyl]amino]ethyl]benzoic acid methyl ester Formula: C25H22N2O4S MolecularWeight: 446.51818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C25H22N2O4S/c1-30-24(29)18-12-10-17(11-13-18)14-15-26-23(28)20-7-3-2-6-19(20)16-32-25-27-21-8-4-5-9-22(21)31-25/h2-13H,14-16H2,1H3,(H,26,28)