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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1N(CSC(=S)N1CCC2=CC=CC=C2)CCC(=O)O

Isomeric SMILES

C1N(CSC(=S)N1CCC2=CC=CC=C2)CCC(=O)O

InChI

InChI=1S/C14H18N2O2S2/c17-13(18)7-8-15-10-16(14(19)20-11-15)9-6-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,17,18)