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

Systemtic Name: methyl (E)-3-[3-azanyl-2-cyano-1-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]sulfanyl-3-oxidanylidene-prop-1-enyl]sulfanylprop-2-enoate Openeye Name: methyl (E)-3-[3-amino-2-cyano-1-[(E)-3-methoxy-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-methoxy-3-oxoprop-1-enyl]thio]-3-oxoprop-1-enyl]thio]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[3-amino-2-cyano-1-[(E)-3-methoxy-3-oxoprop-1-enyl]sulfanyl-3-oxoprop-1-enyl]sulfanylprop-2-enoate Traditional Name: (E)-3-[[3-amino-2-cyano-3-keto-1-[[(E)-3-keto-3-methoxy-prop-1-enyl]thio]prop-1-enyl]thio]acrylic acid methyl ester Formula: C12H12N2O5S2 MolecularWeight: 328.36408

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CSC(=C(C#N)C(=O)N)SC=CC(=O)OC

Isomeric SMILES

COC(=O)/C=C/SC(=C(C(=O)N)C#N)S/C=C/C(=O)OC

InChI

InChI=1S/C12H12N2O5S2/c1-18-9(15)3-5-20-12(8(7-13)11(14)17)21-6-4-10(16)19-2/h3-6H,1-2H3,(H2,14,17)/b5-3+,6-4+