(2-methoxy-4-morpholin-4-ylcarbothioyl-phenyl) (E)-2-cyano-3-phenyl-prop-2-enoate

Systemtic Name: (2-methoxy-4-morpholin-4-ylcarbothioyl-phenyl) (E)-2-cyano-3-phenyl-prop-2-enoate Openeye Name: [2-methoxy-4-(morpholine-4-carbothioyl)phenyl] (E)-2-cyano-3-phenyl-prop-2-enoate CAS Name: (E)-2-cyano-3-phenyl-2-propenoic acid [2-methoxy-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-4-(morpholine-4-carbothioyl)phenyl] (E)-2-cyano-3-phenylprop-2-enoate Traditional Name: (E)-2-cyano-3-phenyl-acrylic acid [2-methoxy-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=S)N2CCOCC2)OC(=O)C(=CC3=CC=CC=C3)C#N

Isomeric SMILES

COC1=C(C=CC(=C1)C(=S)N2CCOCC2)OC(=O)/C(=C/C3=CC=CC=C3)/C#N

InChI

InChI=1S/C22H20N2O4S/c1-26-20-14-17(21(29)24-9-11-27-12-10-24)7-8-19(20)28-22(25)18(15-23)13-16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3/b18-13+