dimethyl 5-(2-butylsulfanylethanoylamino)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(2-butylsulfanylethanoylamino)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(2-butylsulfanylacetyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(butylthio)-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2-butylsulfanylacetyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(butylthio)acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C16H21NO5S MolecularWeight: 339.40664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO5S/c1-4-5-6-23-10-14(18)17-13-8-11(15(19)21-2)7-12(9-13)16(20)22-3/h7-9H,4-6,10H2,1-3H3,(H,17,18)