4-oxidanylidene-3-[2-(phenoxycarbonylamino)ethylsulfanylmethyl]-4-pyridin-3-yl-butanoic acid

Systemtic Name: 4-oxidanylidene-3-[2-(phenoxycarbonylamino)ethylsulfanylmethyl]-4-pyridin-3-yl-butanoic acid Openeye Name: 4-oxo-3-[2-(phenoxycarbonylamino)ethylsulfanylmethyl]-4-(3-pyridyl)butanoic acid CAS Name: 4-oxo-3-[[2-[[oxo(phenoxy)methyl]amino]ethylthio]methyl]-4-(3-pyridinyl)butanoic acid IUPAC Name: 4-oxo-3-[2-(phenoxycarbonylamino)ethylsulfanylmethyl]-4-pyridin-3-ylbutanoic acid Traditional Name: 3-[[2-(carbophenoxyamino)ethylthio]methyl]-4-keto-4-(3-pyridyl)butyric acid Formula: C19H20N2O5S MolecularWeight: 388.4375

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)NCCSCC(CC(=O)O)C(=O)C2=CN=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)NCCSCC(CC(=O)O)C(=O)C2=CN=CC=C2

InChI

InChI=1S/C19H20N2O5S/c22-17(23)11-15(18(24)14-5-4-8-20-12-14)13-27-10-9-21-19(25)26-16-6-2-1-3-7-16/h1-8,12,15H,9-11,13H2,(H,21,25)(H,22,23)