methyl 2-(2-butylsulfanylethanoylamino)-5-methyl-benzoate

Systemtic Name: methyl 2-(2-butylsulfanylethanoylamino)-5-methyl-benzoate Openeye Name: methyl 2-[(2-butylsulfanylacetyl)amino]-5-methyl-benzoate CAS Name: 2-[[2-(butylthio)-1-oxoethyl]amino]-5-methylbenzoic acid methyl ester IUPAC Name: methyl 2-[(2-butylsulfanylacetyl)amino]-5-methylbenzoate Traditional Name: 2-[[2-(butylthio)acetyl]amino]-5-methyl-benzoic acid methyl ester Formula: C15H21NO3S MolecularWeight: 295.39714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(=O)NC1=C(C=C(C=C1)C)C(=O)OC

Isomeric SMILES

CCCCSCC(=O)NC1=C(C=C(C=C1)C)C(=O)OC

InChI

InChI=1S/C15H21NO3S/c1-4-5-8-20-10-14(17)16-13-7-6-11(2)9-12(13)15(18)19-3/h6-7,9H,4-5,8,10H2,1-3H3,(H,16,17)