2-methoxyethyl (E)-2-cyano-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]prop-2-enoate

Systemtic Name: 2-methoxyethyl (E)-2-cyano-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]prop-2-enoate Openeye Name: 2-methoxyethyl (E)-2-cyano-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]prop-2-enoate CAS Name: (E)-2-cyano-3-[4-[(1-methyl-2-imidazolyl)thio]-3-nitrophenyl]-2-propenoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (E)-2-cyano-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[4-[(1-methylimidazol-2-yl)thio]-3-nitro-phenyl]acrylic acid 2-methoxyethyl ester Formula: C17H16N4O5S MolecularWeight: 388.39774

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=C(C=C(C=C2)C=C(C#N)C(=O)OCCOC)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)OCCOC)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O5S/c1-20-6-5-19-17(20)27-15-4-3-12(10-14(15)21(23)24)9-13(11-18)16(22)26-8-7-25-2/h3-6,9-10H,7-8H2,1-2H3/b13-9+