methyl 3-[2-(2,5-dimethylphenyl)sulfanylethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-(2,5-dimethylphenyl)sulfanylethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[(2,5-dimethylphenyl)thio]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[(2,5-dimethylphenyl)thio]acetyl]amino]-4-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)NC2=C(C=CC(=C2)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C

InChI

InChI=1S/C19H21NO3S/c1-12-5-6-14(3)17(9-12)24-11-18(21)20-16-10-15(19(22)23-4)8-7-13(16)2/h5-10H,11H2,1-4H3,(H,20,21)