methyl (E)-3-azido-2-cyano-3-[(1-ethoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl)amino]prop-2-enoate

Systemtic Name: methyl (E)-3-azido-2-cyano-3-[(1-ethoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl)amino]prop-2-enoate Openeye Name: methyl (E)-3-azido-2-cyano-3-[(1-ethoxycarbonyl-3-methylsulfanyl-propyl)amino]prop-2-enoate CAS Name: (E)-3-azido-2-cyano-3-[[1-ethoxy-4-(methylthio)-1-oxobutan-2-yl]amino]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-azido-2-cyano-3-[(1-ethoxy-4-methylsulfanyl-1-oxobutan-2-yl)amino]prop-2-enoate Traditional Name: (E)-3-azido-3-[[1-carbethoxy-3-(methylthio)propyl]amino]-2-cyano-acrylic acid methyl ester Formula: C12H17N5O4S MolecularWeight: 327.35948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCSC)NC(=C(C#N)C(=O)OC)N=[N+]=[N-]

Isomeric SMILES

CCOC(=O)C(CCSC)N/C(=C(/C#N)\C(=O)OC)/N=[N+]=[N-]

InChI

InChI=1S/C12H17N5O4S/c1-4-21-12(19)9(5-6-22-3)15-10(16-17-14)8(7-13)11(18)20-2/h9,15H,4-6H2,1-3H3/b10-8+