ethyl (E)-3-azanyl-3-methylsulfanyl-2-(pentanoylamino)prop-2-enoate

Systemtic Name: ethyl (E)-3-azanyl-3-methylsulfanyl-2-(pentanoylamino)prop-2-enoate Openeye Name: ethyl (E)-3-amino-3-methylsulfanyl-2-(pentanoylamino)prop-2-enoate CAS Name: (E)-3-amino-3-(methylthio)-2-(1-oxopentylamino)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-amino-3-methylsulfanyl-2-(pentanoylamino)prop-2-enoate Traditional Name: (E)-3-amino-3-(methylthio)-2-(valerylamino)acrylic acid ethyl ester Formula: C11H20N2O3S MolecularWeight: 260.3531

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=C(N)SC)C(=O)OCC

Isomeric SMILES

CCCCC(=O)N/C(=C(\N)/SC)/C(=O)OCC

InChI

InChI=1S/C11H20N2O3S/c1-4-6-7-8(14)13-9(10(12)17-3)11(15)16-5-2/h4-7,12H2,1-3H3,(H,13,14)/b10-9+