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

Systemtic Name: ethyl (E)-3-azanyl-3-methylsulfanyl-2-(propanoylamino)prop-2-enoate Openeye Name: ethyl (E)-3-amino-3-methylsulfanyl-2-(propanoylamino)prop-2-enoate CAS Name: (E)-3-amino-3-(methylthio)-2-(1-oxopropylamino)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-amino-3-methylsulfanyl-2-(propanoylamino)prop-2-enoate Traditional Name: (E)-3-amino-3-(methylthio)-2-propionamido-acrylic acid ethyl ester Formula: C9H16N2O3S MolecularWeight: 232.29994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H16N2O3S/c1-4-6(12)11-7(8(10)15-3)9(13)14-5-2/h4-5,10H2,1-3H3,(H,11,12)/b8-7+