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

Systemtic Name: 2-[5-(furan-2-ylmethyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]-3-phenyl-propanoic acid Openeye Name: 2-[5-(2-furylmethyl)-6-thioxo-1,3,5-thiadiazinan-3-yl]-3-phenyl-propanoic acid CAS Name: 2-[5-(2-furanylmethyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]-3-phenylpropanoic acid IUPAC Name: 2-[5-(furan-2-ylmethyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]-3-phenylpropanoic acid Traditional Name: 2-[5-(2-furfuryl)-6-thioxo-1,3,5-thiadiazinan-3-yl]-3-phenyl-propionic acid Formula: C17H18N2O3S2 MolecularWeight: 362.46642

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Descriptors Computed from Structure

Canonical SMILES:

C1N(CSC(=S)N1CC2=CC=CO2)C(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1N(CSC(=S)N1CC2=CC=CO2)C(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C17H18N2O3S2/c20-16(21)15(9-13-5-2-1-3-6-13)19-11-18(17(23)24-12-19)10-14-7-4-8-22-14/h1-8,15H,9-12H2,(H,20,21)