ethyl 4-[1-(3-nitrophenyl)carbonyl-4-thia-1,8-diazaspiro[4.5]decan-8-yl]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[1-(3-nitrophenyl)carbonyl-4-thia-1,8-diazaspiro[4.5]decan-8-yl]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[1-(3-nitrobenzoyl)-4-thia-1,8-diazaspiro[4.5]decan-8-yl]-4-oxo-butanoate CAS Name: 4-[1-[(3-nitrophenyl)-oxomethyl]-4-thia-1,8-diazaspiro[4.5]decan-8-yl]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[1-(3-nitrobenzoyl)-4-thia-1,8-diazaspiro[4.5]decan-8-yl]-4-oxobutanoate Traditional Name: 4-keto-4-[1-(3-nitrobenzoyl)-4-thia-1,8-diazaspiro[4.5]decan-8-yl]butyric acid ethyl ester Formula: C20H25N3O6S MolecularWeight: 435.494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N1CCC2(CC1)N(CCS2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCC(=O)N1CCC2(CC1)N(CCS2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O6S/c1-2-29-18(25)7-6-17(24)21-10-8-20(9-11-21)22(12-13-30-20)19(26)15-4-3-5-16(14-15)23(27)28/h3-5,14H,2,6-13H2,1H3