ethyl (E)-3-[3-azanyl-2-cyano-1-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]sulfanyl-3-oxidanylidene-prop-1-enyl]sulfanylprop-2-enoate

Systemtic Name: ethyl (E)-3-[3-azanyl-2-cyano-1-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]sulfanyl-3-oxidanylidene-prop-1-enyl]sulfanylprop-2-enoate Openeye Name: ethyl (E)-3-[3-amino-2-cyano-1-[(E)-3-ethoxy-3-oxo-prop-1-enyl]sulfanyl-3-oxo-prop-1-enyl]sulfanylprop-2-enoate CAS Name: (E)-3-[[3-amino-2-cyano-1-[[(E)-3-ethoxy-3-oxoprop-1-enyl]thio]-3-oxoprop-1-enyl]thio]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[3-amino-2-cyano-1-[(E)-3-ethoxy-3-oxoprop-1-enyl]sulfanyl-3-oxoprop-1-enyl]sulfanylprop-2-enoate Traditional Name: (E)-3-[[3-amino-2-cyano-1-[[(E)-3-ethoxy-3-keto-prop-1-enyl]thio]-3-keto-prop-1-enyl]thio]acrylic acid ethyl ester Formula: C14H16N2O5S2 MolecularWeight: 356.41724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CSC(=C(C#N)C(=O)N)SC=CC(=O)OCC

Isomeric SMILES

CCOC(=O)/C=C/SC(=C(C(=O)N)C#N)S/C=C/C(=O)OCC

InChI

InChI=1S/C14H16N2O5S2/c1-3-20-11(17)5-7-22-14(10(9-15)13(16)19)23-8-6-12(18)21-4-2/h5-8H,3-4H2,1-2H3,(H2,16,19)/b7-5+,8-6+