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

Systemtic Name: 3-(5-butyl-6-sulfanylidene-1,3,5-thiadiazinan-3-yl)-3-phenyl-propanoic acid Openeye Name: 3-(5-butyl-6-thioxo-1,3,5-thiadiazinan-3-yl)-3-phenyl-propanoic acid CAS Name: 3-(5-butyl-6-sulfanylidene-1,3,5-thiadiazinan-3-yl)-3-phenylpropanoic acid IUPAC Name: 3-(5-butyl-6-sulfanylidene-1,3,5-thiadiazinan-3-yl)-3-phenylpropanoic acid Traditional Name: 3-(5-butyl-6-thioxo-1,3,5-thiadiazinan-3-yl)-3-phenyl-propionic acid Formula: C16H22N2O2S2 MolecularWeight: 338.48808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CN(CSC1=S)C(CC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCCCN1CN(CSC1=S)C(CC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C16H22N2O2S2/c1-2-3-9-17-11-18(12-22-16(17)21)14(10-15(19)20)13-7-5-4-6-8-13/h4-8,14H,2-3,9-12H2,1H3,(H,19,20)