ethyl (E)-2-acetamido-3-azanyl-3-ethylsulfanyl-prop-2-enoate

Systemtic Name: ethyl (E)-2-acetamido-3-azanyl-3-ethylsulfanyl-prop-2-enoate Openeye Name: ethyl (E)-2-acetamido-3-amino-3-ethylsulfanyl-prop-2-enoate CAS Name: (E)-2-acetamido-3-amino-3-(ethylthio)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-acetamido-3-amino-3-ethylsulfanylprop-2-enoate Traditional Name: (E)-2-acetamido-3-amino-3-(ethylthio)acrylic acid ethyl ester Formula: C9H16N2O3S MolecularWeight: 232.29994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(N)SCC)NC(=O)C

Isomeric SMILES

CCOC(=O)/C(=C(/N)\SCC)/NC(=O)C

InChI

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