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

Systemtic Name: (2-bromanyl-4-morpholin-4-ylcarbothioyl-phenyl) 2-cyano-3-phenyl-prop-2-enoate Openeye Name: [2-bromo-4-(morpholine-4-carbothioyl)phenyl] 2-cyano-3-phenyl-prop-2-enoate CAS Name: 2-cyano-3-phenyl-2-propenoic acid [2-bromo-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-bromo-4-(morpholine-4-carbothioyl)phenyl] 2-cyano-3-phenylprop-2-enoate Traditional Name: 2-cyano-3-phenyl-acrylic acid [2-bromo-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C21H17BrN2O3S MolecularWeight: 457.34028

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=S)C2=CC(=C(C=C2)OC(=O)C(=CC3=CC=CC=C3)C#N)Br

Isomeric SMILES

C1COCCN1C(=S)C2=CC(=C(C=C2)OC(=O)C(=CC3=CC=CC=C3)C#N)Br

InChI

InChI=1S/C21H17BrN2O3S/c22-18-13-16(20(28)24-8-10-26-11-9-24)6-7-19(18)27-21(25)17(14-23)12-15-4-2-1-3-5-15/h1-7,12-13H,8-11H2