methyl 4-[[2-(2,5-dimethylphenyl)sulfanylethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(2,5-dimethylphenyl)sulfanylethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[(2,5-dimethylphenyl)thio]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(2,5-dimethylphenyl)thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C19H21NO3S MolecularWeight: 343.43994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C19H21NO3S/c1-13-4-5-14(2)17(10-13)24-12-18(21)20-11-15-6-8-16(9-7-15)19(22)23-3/h4-10H,11-12H2,1-3H3,(H,20,21)