methyl 2-[7,9-bis(oxidanylidene)-8-azaspiro[4.5]decan-8-yl]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: methyl 2-[7,9-bis(oxidanylidene)-8-azaspiro[4.5]decan-8-yl]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 3-benzylsulfanyl-2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)propanoate CAS Name: 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 3-benzylsulfanyl-2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)propanoate Traditional Name: 3-(benzylthio)-2-(7,9-diketo-8-azaspiro[4.5]decan-8-yl)propionic acid methyl ester Formula: C20H25NO4S MolecularWeight: 375.4818

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSCC1=CC=CC=C1)N2C(=O)CC3(CCCC3)CC2=O

Isomeric SMILES

COC(=O)C(CSCC1=CC=CC=C1)N2C(=O)CC3(CCCC3)CC2=O

InChI

InChI=1S/C20H25NO4S/c1-25-19(24)16(14-26-13-15-7-3-2-4-8-15)21-17(22)11-20(12-18(21)23)9-5-6-10-20/h2-4,7-8,16H,5-6,9-14H2,1H3