3-(5-phenethyl-6-sulfanylidene-1,3,5-thiadiazinan-3-yl)-3-phenyl-propanoic acid

Systemtic Name: 3-(5-phenethyl-6-sulfanylidene-1,3,5-thiadiazinan-3-yl)-3-phenyl-propanoic acid Openeye Name: 3-(5-phenethyl-6-thioxo-1,3,5-thiadiazinan-3-yl)-3-phenyl-propanoic acid CAS Name: 3-(5-phenethyl-6-sulfanylidene-1,3,5-thiadiazinan-3-yl)-3-phenylpropanoic acid IUPAC Name: 3-(5-phenethyl-6-sulfanylidene-1,3,5-thiadiazinan-3-yl)-3-phenylpropanoic acid Traditional Name: 3-(5-phenethyl-6-thioxo-1,3,5-thiadiazinan-3-yl)-3-phenyl-propionic acid Formula: C20H22N2O2S2 MolecularWeight: 386.53088

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Descriptors Computed from Structure

Canonical SMILES:

C1N(CSC(=S)N1CCC2=CC=CC=C2)C(CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1N(CSC(=S)N1CCC2=CC=CC=C2)C(CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O2S2/c23-19(24)13-18(17-9-5-2-6-10-17)22-14-21(20(25)26-15-22)12-11-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H,23,24)