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

Systemtic Name: 3-phenyl-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)-3-phenyl-propanoic acid CAS Name: 3-phenyl-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)-3-phenylpropanoic acid Traditional Name: 3-(5-benzyl-6-thioxo-1,3,5-thiadiazinan-3-yl)-3-phenyl-propionic acid Formula: C19H20N2O2S2 MolecularWeight: 372.5043

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Descriptors Computed from Structure

Canonical SMILES:

C1N(CSC(=S)N1CC2=CC=CC=C2)C(CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1N(CSC(=S)N1CC2=CC=CC=C2)C(CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C19H20N2O2S2/c22-18(23)11-17(16-9-5-2-6-10-16)21-13-20(19(24)25-14-21)12-15-7-3-1-4-8-15/h1-10,17H,11-14H2,(H,22,23)