methyl 3-[2-[2-(2-cyanophenyl)sulfanylphenyl]carbonyloxyethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[2-(2-cyanophenyl)sulfanylphenyl]carbonyloxyethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[2-(2-cyanophenyl)sulfanylbenzoyl]oxyacetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[[2-[(2-cyanophenyl)thio]phenyl]-oxomethoxy]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[2-(2-cyanophenyl)sulfanylbenzoyl]oxyacetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[2-[(2-cyanophenyl)thio]benzoyl]oxyacetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C25H20N2O5S MolecularWeight: 460.5017

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

InChI

InChI=1S/C25H20N2O5S/c1-16-11-12-17(24(29)31-2)13-20(16)27-23(28)15-32-25(30)19-8-4-6-10-22(19)33-21-9-5-3-7-18(21)14-26/h3-13H,15H2,1-2H3,(H,27,28)