ethyl (E)-3-(4-acetyloxybutylsulfanyl)-3-azanyl-2-(pentanoylamino)prop-2-enoate

Systemtic Name: ethyl (E)-3-(4-acetyloxybutylsulfanyl)-3-azanyl-2-(pentanoylamino)prop-2-enoate Openeye Name: ethyl (E)-3-(4-acetoxybutylsulfanyl)-3-amino-2-(pentanoylamino)prop-2-enoate CAS Name: (E)-3-(4-acetyloxybutylthio)-3-amino-2-(1-oxopentylamino)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(4-acetyloxybutylsulfanyl)-3-amino-2-(pentanoylamino)prop-2-enoate Traditional Name: (E)-3-(4-acetoxybutylthio)-3-amino-2-(valerylamino)acrylic acid ethyl ester Formula: C16H28N2O5S MolecularWeight: 360.46892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H28N2O5S/c1-4-6-9-13(20)18-14(16(21)22-5-2)15(17)24-11-8-7-10-23-12(3)19/h4-11,17H2,1-3H3,(H,18,20)/b15-14+