(phenylmethyl) 8-methylsulfanyl-6-oxidanyl-7,9-diazaspiro[4.4]non-8-ene-7-carboxylate

Systemtic Name: (phenylmethyl) 8-methylsulfanyl-6-oxidanyl-7,9-diazaspiro[4.4]non-8-ene-7-carboxylate Openeye Name: benzyl 6-hydroxy-8-methylsulfanyl-7,9-diazaspiro[4.4]non-8-ene-7-carboxylate CAS Name: 6-hydroxy-8-(methylthio)-7,9-diazaspiro[4.4]non-8-ene-7-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-hydroxy-8-methylsulfanyl-7,9-diazaspiro[4.4]non-8-ene-7-carboxylate Traditional Name: 6-hydroxy-8-(methylthio)-7,9-diazaspiro[4.4]non-8-ene-7-carboxylic acid benzyl ester Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2(CCCC2)C(N1C(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

CSC1=NC2(CCCC2)C(N1C(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C16H20N2O3S/c1-22-14-17-16(9-5-6-10-16)13(19)18(14)15(20)21-11-12-7-3-2-4-8-12/h2-4,7-8,13,19H,5-6,9-11H2,1H3