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

Systemtic Name: ethyl (E)-2-cyano-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]prop-2-enoate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C16H14N4O4S MolecularWeight: 358.37176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC(=C(C=C1)SC2=NC=CN2C)[N+](=O)[O-])C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC(=C(C=C1)SC2=NC=CN2C)[N+](=O)[O-])/C#N

InChI

InChI=1S/C16H14N4O4S/c1-3-24-15(21)12(10-17)8-11-4-5-14(13(9-11)20(22)23)25-16-18-6-7-19(16)2/h4-9H,3H2,1-2H3/b12-8+