2-[1-(4-methylphenyl)-2-oxidanylidene-4-thia-1-azaspiro[4.5]decan-3-yl]ethanoic acid

Systemtic Name: 2-[1-(4-methylphenyl)-2-oxidanylidene-4-thia-1-azaspiro[4.5]decan-3-yl]ethanoic acid Openeye Name: 2-[2-oxo-1-(p-tolyl)-4-thia-1-azaspiro[4.5]decan-3-yl]acetic acid CAS Name: 2-[1-(4-methylphenyl)-2-oxo-4-thia-1-azaspiro[4.5]decan-3-yl]acetic acid IUPAC Name: 2-[1-(4-methylphenyl)-2-oxo-4-thia-1-azaspiro[4.5]decan-3-yl]acetic acid Traditional Name: 2-[2-keto-1-(p-tolyl)-4-thia-1-azaspiro[4.5]decan-3-yl]acetic acid Formula: C17H21NO3S MolecularWeight: 319.41854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(SC23CCCCC3)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(SC23CCCCC3)CC(=O)O

InChI

InChI=1S/C17H21NO3S/c1-12-5-7-13(8-6-12)18-16(21)14(11-15(19)20)22-17(18)9-3-2-4-10-17/h5-8,14H,2-4,9-11H2,1H3,(H,19,20)