3-[5-(phenylmethyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]propanoic acid

Systemtic Name: 3-[5-(phenylmethyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]propanoic acid Openeye Name: 3-(5-benzyl-6-thioxo-1,3,5-thiadiazinan-3-yl)propanoic acid CAS Name: 3-[5-(phenylmethyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]propanoic acid IUPAC Name: 3-(5-benzyl-6-sulfanylidene-1,3,5-thiadiazinan-3-yl)propanoic acid Traditional Name: 3-(5-benzyl-6-thioxo-1,3,5-thiadiazinan-3-yl)propionic acid Formula: C13H16N2O2S2 MolecularWeight: 296.40834

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Descriptors Computed from Structure

Canonical SMILES:

C1N(CSC(=S)N1CC2=CC=CC=C2)CCC(=O)O

Isomeric SMILES

C1N(CSC(=S)N1CC2=CC=CC=C2)CCC(=O)O

InChI

InChI=1S/C13H16N2O2S2/c16-12(17)6-7-14-9-15(13(18)19-10-14)8-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,16,17)