butyl (2S)-2-[[(E)-5-(furan-2-yl)-3-oxidanylidene-pent-4-enyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: butyl (2S)-2-[[(E)-5-(furan-2-yl)-3-oxidanylidene-pent-4-enyl]amino]-4-methylsulfanyl-butanoate Openeye Name: butyl (2S)-2-[[(E)-5-(2-furyl)-3-oxo-pent-4-enyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(E)-5-(2-furanyl)-3-oxopent-4-enyl]amino]-4-(methylthio)butanoic acid butyl ester IUPAC Name: butyl (2S)-2-[[(E)-5-(furan-2-yl)-3-oxopent-4-enyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(E)-5-(2-furyl)-3-keto-pent-4-enyl]amino]-4-(methylthio)butyric acid butyl ester Formula: C18H27NO4S MolecularWeight: 353.47628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(CCSC)NCCC(=O)C=CC1=CC=CO1

Isomeric SMILES

CCCCOC(=O)[C@H](CCSC)NCCC(=O)/C=C/C1=CC=CO1

InChI

InChI=1S/C18H27NO4S/c1-3-4-12-23-18(21)17(10-14-24-2)19-11-9-15(20)7-8-16-6-5-13-22-16/h5-8,13,17,19H,3-4,9-12,14H2,1-2H3/b8-7+/t17-/m0/s1