4-[[(E)-2-cyano-3-(3-methoxy-4-thiophen-2-ylcarbonyloxy-phenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: 4-[[(E)-2-cyano-3-(3-methoxy-4-thiophen-2-ylcarbonyloxy-phenyl)prop-2-enoyl]amino]benzoate Openeye Name: 4-[[(E)-2-cyano-3-[3-methoxy-4-(thiophene-2-carbonyloxy)phenyl]prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-3-[3-methoxy-4-[oxo(thiophen-2-yl)methoxy]phenyl]-1-oxoprop-2-enyl]amino]benzoate IUPAC Name: 4-[[(E)-2-cyano-3-[3-methoxy-4-(thiophene-2-carbonyloxy)phenyl]prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-[3-methoxy-4-(2-thenoyloxy)phenyl]acryloyl]amino]benzoate Formula: C23H15N2O6S- MolecularWeight: 447.44

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)[O-])OC(=O)C3=CC=CS3

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)[O-])OC(=O)C3=CC=CS3

InChI

InChI=1S/C23H16N2O6S/c1-30-19-12-14(4-9-18(19)31-23(29)20-3-2-10-32-20)11-16(13-24)21(26)25-17-7-5-15(6-8-17)22(27)28/h2-12H,1H3,(H,25,26)(H,27,28)/p-1/b16-11+