2-methylpropyl 3-ethyl-4-methyl-6-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-methylpropyl 3-ethyl-4-methyl-6-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 3-ethyl-4-methyl-6-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-4-methyl-6-[3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-ethyl-4-methyl-6-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-4-methyl-6-[3-[[(E)-3-phenylacryloyl]amino]phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C27H31N3O3S MolecularWeight: 477.61834

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=S)C2=CC(=CC=C2)NC(=O)C=CC3=CC=CC=C3)C(=O)OCC(C)C)C

Isomeric SMILES

CCN1C(=C(C(NC1=S)C2=CC(=CC=C2)NC(=O)/C=C/C3=CC=CC=C3)C(=O)OCC(C)C)C

InChI

InChI=1S/C27H31N3O3S/c1-5-30-19(4)24(26(32)33-17-18(2)3)25(29-27(30)34)21-12-9-13-22(16-21)28-23(31)15-14-20-10-7-6-8-11-20/h6-16,18,25H,5,17H2,1-4H3,(H,28,31)(H,29,34)/b15-14+