methyl 2-[1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylethanoate Openeye Name: methyl 2-[2-(4-ethylanilino)-1-methyl-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[1-(4-ethylanilino)-1-oxopropan-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[1-(4-ethylanilino)-1-oxopropan-2-yl]sulfanylacetate Traditional Name: 2-[[2-(4-ethylanilino)-2-keto-1-methyl-ethyl]thio]acetic acid methyl ester Formula: C14H19NO3S MolecularWeight: 281.37056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)SCC(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(C)SCC(=O)OC

InChI

InChI=1S/C14H19NO3S/c1-4-11-5-7-12(8-6-11)15-14(17)10(2)19-9-13(16)18-3/h5-8,10H,4,9H2,1-3H3,(H,15,17)