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

Systemtic Name: propan-2-yl (E)-2-cyano-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]prop-2-enoate Openeye Name: isopropyl (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 propan-2-yl ester IUPAC Name: propan-2-yl (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 isopropyl ester Formula: C17H16N4O4S MolecularWeight: 372.39834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O4S/c1-11(2)25-16(22)13(10-18)8-12-4-5-15(14(9-12)21(23)24)26-17-19-6-7-20(17)3/h4-9,11H,1-3H3/b13-8+