methyl 3-oxidanylidene-2-[1-(phenylcarbonyl)-2-thia-7-azaspiro[2.4]heptan-6-yl]butanoate

Systemtic Name: methyl 3-oxidanylidene-2-[1-(phenylcarbonyl)-2-thia-7-azaspiro[2.4]heptan-6-yl]butanoate Openeye Name: methyl 2-(1-benzoyl-2-thia-7-azaspiro[2.4]heptan-6-yl)-3-oxo-butanoate CAS Name: 2-(1-benzoyl-2-thia-7-azaspiro[2.4]heptan-6-yl)-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-(1-benzoyl-2-thia-7-azaspiro[2.4]heptan-6-yl)-3-oxobutanoate Traditional Name: 2-(1-benzoyl-2-thia-7-azaspiro[2.4]heptan-6-yl)-3-keto-butyric acid methyl ester Formula: C17H19NO4S MolecularWeight: 333.40206

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1CCC2(N1)C(S2)C(=O)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(=O)C(C1CCC2(N1)C(S2)C(=O)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C17H19NO4S/c1-10(19)13(16(21)22-2)12-8-9-17(18-12)15(23-17)14(20)11-6-4-3-5-7-11/h3-7,12-13,15,18H,8-9H2,1-2H3