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

Systemtic Name: ethyl (E)-3-azanyl-2-(butanoylamino)-3-methylsulfanyl-prop-2-enoate Openeye Name: ethyl (E)-3-amino-2-(butanoylamino)-3-methylsulfanyl-prop-2-enoate CAS Name: (E)-3-amino-3-(methylthio)-2-(1-oxobutylamino)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-amino-2-(butanoylamino)-3-methylsulfanylprop-2-enoate Traditional Name: (E)-3-amino-2-butyramido-3-(methylthio)acrylic acid ethyl ester Formula: C10H18N2O3S MolecularWeight: 246.32652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H18N2O3S/c1-4-6-7(13)12-8(9(11)16-3)10(14)15-5-2/h4-6,11H2,1-3H3,(H,12,13)/b9-8+