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

Systemtic Name: ethyl 4-[1-(3-methylphenyl)carbonyl-4-thia-1,8-diazaspiro[4.5]decan-8-yl]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[1-(3-methylbenzoyl)-4-thia-1,8-diazaspiro[4.5]decan-8-yl]-4-oxo-butanoate CAS Name: 4-[1-[(3-methylphenyl)-oxomethyl]-4-thia-1,8-diazaspiro[4.5]decan-8-yl]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[1-(3-methylbenzoyl)-4-thia-1,8-diazaspiro[4.5]decan-8-yl]-4-oxobutanoate Traditional Name: 4-keto-4-(1-m-toluoyl-4-thia-1,8-diazaspiro[4.5]decan-8-yl)butyric acid ethyl ester Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N1CCC2(CC1)N(CCS2)C(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CCOC(=O)CCC(=O)N1CCC2(CC1)N(CCS2)C(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C21H28N2O4S/c1-3-27-19(25)8-7-18(24)22-11-9-21(10-12-22)23(13-14-28-21)20(26)17-6-4-5-16(2)15-17/h4-6,15H,3,7-14H2,1-2H3