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

Systemtic Name: 2-[5-(furan-2-yl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]-3-phenyl-propanoic acid Openeye Name: 2-[5-(2-furyl)-6-thioxo-1,3,5-thiadiazinan-3-yl]-3-phenyl-propanoic acid CAS Name: 2-[5-(2-furanyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]-3-phenylpropanoic acid IUPAC Name: 2-[5-(furan-2-yl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]-3-phenylpropanoic acid Traditional Name: 2-[5-(2-furyl)-6-thioxo-1,3,5-thiadiazinan-3-yl]-3-phenyl-propionic acid Formula: C16H16N2O3S2 MolecularWeight: 348.43984

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Descriptors Computed from Structure

Canonical SMILES:

C1N(CSC(=S)N1C2=CC=CO2)C(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1N(CSC(=S)N1C2=CC=CO2)C(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C16H16N2O3S2/c19-15(20)13(9-12-5-2-1-3-6-12)17-10-18(16(22)23-11-17)14-7-4-8-21-14/h1-8,13H,9-11H2,(H,19,20)