2-methylpropyl 6-[4-[2-(4-chloranylphenoxy)ethanoylamino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-methylpropyl 6-[4-[2-(4-chloranylphenoxy)ethanoylamino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 6-[4-[[2-(4-chlorophenoxy)acetyl]amino]phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[4-[[2-(4-chlorophenoxy)-1-oxoethyl]amino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 6-[4-[[2-(4-chlorophenoxy)acetyl]amino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[4-[[2-(4-chlorophenoxy)acetyl]amino]phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C26H30ClN3O4S MolecularWeight: 516.0521

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=S)C2=CC=C(C=C2)NC(=O)COC3=CC=C(C=C3)Cl)C(=O)OCC(C)C)C

Isomeric SMILES

CCN1C(=C(C(NC1=S)C2=CC=C(C=C2)NC(=O)COC3=CC=C(C=C3)Cl)C(=O)OCC(C)C)C

InChI

InChI=1S/C26H30ClN3O4S/c1-5-30-17(4)23(25(32)34-14-16(2)3)24(29-26(30)35)18-6-10-20(11-7-18)28-22(31)15-33-21-12-8-19(27)9-13-21/h6-13,16,24H,5,14-15H2,1-4H3,(H,28,31)(H,29,35)