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

Systemtic Name: 3-(5-ethyl-6-sulfanylidene-1,3,5-thiadiazinan-3-yl)-3-phenyl-propanoic acid Openeye Name: 3-(5-ethyl-6-thioxo-1,3,5-thiadiazinan-3-yl)-3-phenyl-propanoic acid CAS Name: 3-(5-ethyl-6-sulfanylidene-1,3,5-thiadiazinan-3-yl)-3-phenylpropanoic acid IUPAC Name: 3-(5-ethyl-6-sulfanylidene-1,3,5-thiadiazinan-3-yl)-3-phenylpropanoic acid Traditional Name: 3-(5-ethyl-6-thioxo-1,3,5-thiadiazinan-3-yl)-3-phenyl-propionic acid Formula: C14H18N2O2S2 MolecularWeight: 310.43492

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CN(CSC1=S)C(CC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCN1CN(CSC1=S)C(CC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C14H18N2O2S2/c1-2-15-9-16(10-20-14(15)19)12(8-13(17)18)11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,17,18)