ethyl (E)-3-[[(Z)-1-[(5-chloranylpyrazin-2-yl)amino]-3-ethoxy-3-oxidanylidene-prop-1-en-2-yl]amino]-2-(phenylcarbonyl)prop-2-enoate

Systemtic Name: ethyl (E)-3-[[(Z)-1-[(5-chloranylpyrazin-2-yl)amino]-3-ethoxy-3-oxidanylidene-prop-1-en-2-yl]amino]-2-(phenylcarbonyl)prop-2-enoate Openeye Name: ethyl (E)-2-benzoyl-3-[[(Z)-2-[(5-chloropyrazin-2-yl)amino]-1-ethoxycarbonyl-vinyl]amino]prop-2-enoate CAS Name: (E)-2-benzoyl-3-[[(Z)-1-[(5-chloro-2-pyrazinyl)amino]-3-ethoxy-3-oxoprop-1-en-2-yl]amino]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-benzoyl-3-[[(Z)-1-[(5-chloropyrazin-2-yl)amino]-3-ethoxy-3-oxoprop-1-en-2-yl]amino]prop-2-enoate Traditional Name: (E)-2-benzoyl-3-[[(Z)-1-carbethoxy-2-[(5-chloropyrazin-2-yl)amino]vinyl]amino]acrylic acid ethyl ester Formula: C21H21ClN4O5 MolecularWeight: 444.86824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC(=CNC1=CN=C(C=N1)Cl)C(=O)OCC)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C(=C/N/C(=C\NC1=CN=C(C=N1)Cl)/C(=O)OCC)/C(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H21ClN4O5/c1-3-30-20(28)15(19(27)14-8-6-5-7-9-14)10-23-16(21(29)31-4-2)11-25-18-13-24-17(22)12-26-18/h5-13,23H,3-4H2,1-2H3,(H,25,26)/b15-10+,16-11-