2-[5-(furan-2-ylcarbonyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]-3-phenyl-propanoic acid

Systemtic Name: 2-[5-(furan-2-ylcarbonyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]-3-phenyl-propanoic acid Openeye Name: 2-[5-(furan-2-carbonyl)-6-thioxo-1,3,5-thiadiazinan-3-yl]-3-phenyl-propanoic acid CAS Name: 2-[5-[2-furanyl(oxo)methyl]-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]-3-phenylpropanoic acid IUPAC Name: 2-[5-(furan-2-carbonyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]-3-phenylpropanoic acid Traditional Name: 2-[5-(2-furoyl)-6-thioxo-1,3,5-thiadiazinan-3-yl]-3-phenyl-propionic acid Formula: C17H16N2O4S2 MolecularWeight: 376.44994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1N(CSC(=S)N1C(=O)C2=CC=CO2)C(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1N(CSC(=S)N1C(=O)C2=CC=CO2)C(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C17H16N2O4S2/c20-15(14-7-4-8-23-14)19-10-18(11-25-17(19)24)13(16(21)22)9-12-5-2-1-3-6-12/h1-8,13H,9-11H2,(H,21,22)