methyl 3-[2-(diphenylmethyl)sulfanylethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-(diphenylmethyl)sulfanylethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[(2-benzhydrylsulfanylacetyl)amino]-4-methyl-benzoate CAS Name: 3-[[2-[(diphenylmethyl)thio]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[(2-benzhydrylsulfanylacetyl)amino]-4-methylbenzoate Traditional Name: 3-[[2-(benzhydrylthio)acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C24H23NO3S MolecularWeight: 405.50932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H23NO3S/c1-17-13-14-20(24(27)28-2)15-21(17)25-22(26)16-29-23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,23H,16H2,1-2H3,(H,25,26)