methyl 6-[[1-(methylamino)-1-oxidanylidene-3-(2-sulfanylphenyl)propan-2-yl]amino]-6-oxidanylidene-hexanoate

Systemtic Name: methyl 6-[[1-(methylamino)-1-oxidanylidene-3-(2-sulfanylphenyl)propan-2-yl]amino]-6-oxidanylidene-hexanoate Openeye Name: methyl 6-[[2-(methylamino)-2-oxo-1-[(2-sulfanylphenyl)methyl]ethyl]amino]-6-oxo-hexanoate CAS Name: 6-[[3-(2-mercaptophenyl)-1-(methylamino)-1-oxopropan-2-yl]amino]-6-oxohexanoic acid methyl ester IUPAC Name: methyl 6-[[1-(methylamino)-1-oxo-3-(2-sulfanylphenyl)propan-2-yl]amino]-6-oxohexanoate Traditional Name: 6-keto-6-[[2-keto-1-(2-mercaptobenzyl)-2-(methylamino)ethyl]amino]hexanoic acid methyl ester Formula: C17H24N2O4S MolecularWeight: 352.44846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(CC1=CC=CC=C1S)NC(=O)CCCCC(=O)OC

Isomeric SMILES

CNC(=O)C(CC1=CC=CC=C1S)NC(=O)CCCCC(=O)OC

InChI

InChI=1S/C17H24N2O4S/c1-18-17(22)13(11-12-7-3-4-8-14(12)24)19-15(20)9-5-6-10-16(21)23-2/h3-4,7-8,13,24H,5-6,9-11H2,1-2H3,(H,18,22)(H,19,20)