methyl 2-(ethanethioylamino)-3-[4-[2-(methylamino)propanoylamino]phenyl]propanoate

Systemtic Name: methyl 2-(ethanethioylamino)-3-[4-[2-(methylamino)propanoylamino]phenyl]propanoate Openeye Name: methyl 2-(ethanethioylamino)-3-[4-[2-(methylamino)propanoylamino]phenyl]propanoate CAS Name: 3-[4-[[2-(methylamino)-1-oxopropyl]amino]phenyl]-2-(1-sulfanylideneethylamino)propanoic acid methyl ester IUPAC Name: methyl 2-(ethanethioylamino)-3-[4-[2-(methylamino)propanoylamino]phenyl]propanoate Traditional Name: 3-[4-[2-(methylamino)propanoylamino]phenyl]-2-(thioacetylamino)propionic acid methyl ester Formula: C16H23N3O3S MolecularWeight: 337.43712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)CC(C(=O)OC)NC(=S)C)NC

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)CC(C(=O)OC)NC(=S)C)NC

InChI

InChI=1S/C16H23N3O3S/c1-10(17-3)15(20)19-13-7-5-12(6-8-13)9-14(16(21)22-4)18-11(2)23/h5-8,10,14,17H,9H2,1-4H3,(H,18,23)(H,19,20)