2-[(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)amino]-4-ethylsulfanyl-butanoate

Systemtic Name: 2-[(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)amino]-4-ethylsulfanyl-butanoate Openeye Name: 2-[(5,5-dimethyl-3-oxo-cyclohexen-1-yl)amino]-4-ethylsulfanyl-butanoate CAS Name: 2-[(5,5-dimethyl-3-oxo-1-cyclohexenyl)amino]-4-(ethylthio)butanoate IUPAC Name: 2-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]-4-ethylsulfanylbutanoate Traditional Name: 4-(ethylthio)-2-[(3-keto-5,5-dimethyl-cyclohexen-1-yl)amino]butyrate Formula: C14H22NO3S- MolecularWeight: 284.39438

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCC(C(=O)[O-])NC1=CC(=O)CC(C1)(C)C

Isomeric SMILES

CCSCCC(C(=O)[O-])NC1=CC(=O)CC(C1)(C)C

InChI

InChI=1S/C14H23NO3S/c1-4-19-6-5-12(13(17)18)15-10-7-11(16)9-14(2,3)8-10/h7,12,15H,4-6,8-9H2,1-3H3,(H,17,18)/p-1