ethyl 2-[[(Z)-2-cyano-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(Z)-2-cyano-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(Z)-2-cyano-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(Z)-2-cyano-3-[3-nitro-4-(2-pyrimidinylthio)phenyl]-1-oxoprop-2-enyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(Z)-2-cyano-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[(Z)-2-cyano-3-[3-nitro-4-(2-pyrimidylthio)phenyl]acryloyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H19N5O5S2 MolecularWeight: 509.55746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C(=CC2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-])C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)/C(=C\C2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-])/C#N

InChI

InChI=1S/C23H19N5O5S2/c1-4-33-22(30)19-13(2)14(3)34-21(19)27-20(29)16(12-24)10-15-6-7-18(17(11-15)28(31)32)35-23-25-8-5-9-26-23/h5-11H,4H2,1-3H3,(H,27,29)/b16-10-