2-azanyl-3-[2-(5-methyl-4-oxidanylidene-5-phenyl-furan-2-yl)-1-thiophen-3-yl-ethyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[2-(5-methyl-4-oxidanylidene-5-phenyl-furan-2-yl)-1-thiophen-3-yl-ethyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-(5-methyl-4-oxo-5-phenyl-2-furyl)-1-(3-thienyl)ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-(5-methyl-4-oxo-5-phenyl-2-furanyl)-1-(3-thiophenyl)ethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-(5-methyl-4-oxo-5-phenylfuran-2-yl)-1-thiophen-3-ylethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-(4-keto-5-methyl-5-phenyl-2-furyl)-1-(3-thienyl)ethyl]thio]propionic acid Formula: C20H21NO4S2 MolecularWeight: 403.51504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=C(O1)CC(C2=CSC=C2)SCC(C(=O)O)N)C3=CC=CC=C3

Isomeric SMILES

CC1(C(=O)C=C(O1)CC(C2=CSC=C2)SCC(C(=O)O)N)C3=CC=CC=C3

InChI

InChI=1S/C20H21NO4S2/c1-20(14-5-3-2-4-6-14)18(22)10-15(25-20)9-17(13-7-8-26-11-13)27-12-16(21)19(23)24/h2-8,10-11,16-17H,9,12,21H2,1H3,(H,23,24)