ethyl 2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylcarbonyl)-2-nitro-phenyl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylcarbonyl)-2-nitro-phenyl]sulfanylethanoate Openeye Name: ethyl 2-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-nitro-phenyl]sulfanylacetate CAS Name: 2-[[4-[1,4-dioxa-8-azaspiro[4.5]decan-8-yl(oxo)methyl]-2-nitrophenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-nitrophenyl]sulfanylacetate Traditional Name: 2-[[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-nitro-phenyl]thio]acetic acid ethyl ester Formula: C18H22N2O7S MolecularWeight: 410.44148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C=C(C=C1)C(=O)N2CCC3(CC2)OCCO3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CSC1=C(C=C(C=C1)C(=O)N2CCC3(CC2)OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N2O7S/c1-2-25-16(21)12-28-15-4-3-13(11-14(15)20(23)24)17(22)19-7-5-18(6-8-19)26-9-10-27-18/h3-4,11H,2,5-10,12H2,1H3