(phenylmethyl) 2-cyclohexyl-4-(3-ethanoylsulfanylpropanoyl)-5,6-dihydro-1,3,4-thiadiazine-5-carboxylate

Systemtic Name: (phenylmethyl) 2-cyclohexyl-4-(3-ethanoylsulfanylpropanoyl)-5,6-dihydro-1,3,4-thiadiazine-5-carboxylate Openeye Name: benzyl 4-(3-acetylsulfanylpropanoyl)-2-cyclohexyl-5,6-dihydro-1,3,4-thiadiazine-5-carboxylate CAS Name: 4-[3-(acetylthio)-1-oxopropyl]-2-cyclohexyl-5,6-dihydro-1,3,4-thiadiazine-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(3-acetylsulfanylpropanoyl)-2-cyclohexyl-5,6-dihydro-1,3,4-thiadiazine-5-carboxylate Traditional Name: 4-[3-(acetylthio)propanoyl]-2-cyclohexyl-5,6-dihydro-1,3,4-thiadiazine-5-carboxylic acid benzyl ester Formula: C22H28N2O4S2 MolecularWeight: 448.59872

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(=O)N1C(CSC(=N1)C2CCCCC2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)SCCC(=O)N1C(CSC(=N1)C2CCCCC2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O4S2/c1-16(25)29-13-12-20(26)24-19(22(27)28-14-17-8-4-2-5-9-17)15-30-21(23-24)18-10-6-3-7-11-18/h2,4-5,8-9,18-19H,3,6-7,10-15H2,1H3