3-[2-[2-(4-chlorophenyl)-4-oxidanylidene-1,3-thiazinan-2-yl]-1-phenyl-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-[2-(4-chlorophenyl)-4-oxidanylidene-1,3-thiazinan-2-yl]-1-phenyl-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-[2-(4-chlorophenyl)-4-oxo-1,3-thiazinan-2-yl]-1-phenyl-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-[2-(4-chlorophenyl)-4-oxo-1,3-thiazinan-2-yl]-1-phenylethyl]thio]propanoic acid IUPAC Name: 3-[2-[2-(4-chlorophenyl)-4-oxo-1,3-thiazinan-2-yl]-1-phenylethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-[2-(4-chlorophenyl)-4-keto-1,3-thiazinan-2-yl]-1-phenyl-ethyl]thio]propionic acid Formula: C21H22ClNO3S2 MolecularWeight: 435.98728

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(NC1=O)(CC(C2=CC=CC=C2)SCCC(=O)O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CSC(NC1=O)(CC(C2=CC=CC=C2)SCCC(=O)O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClNO3S2/c22-17-8-6-16(7-9-17)21(23-19(24)10-13-28-21)14-18(27-12-11-20(25)26)15-4-2-1-3-5-15/h1-9,18H,10-14H2,(H,23,24)(H,25,26)