ethyl 4-[[4-[4-(2-ethoxy-2-oxidanylidene-ethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[4-[4-(2-ethoxy-2-oxidanylidene-ethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[4-[4-(2-ethoxy-2-oxo-ethoxy)phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate CAS Name: 4-[[[4-[4-(2-ethoxy-2-oxoethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[4-(2-ethoxy-2-oxoethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate Traditional Name: 4-[[4-[4-(2-ethoxy-2-keto-ethoxy)phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoic acid ethyl ester Formula: C25H27N3O6S MolecularWeight: 497.56338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=CC=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)COC1=CC=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C25H27N3O6S/c1-4-32-20(29)14-34-19-12-8-16(9-13-19)22-21(15(3)26-25(35)28-22)23(30)27-18-10-6-17(7-11-18)24(31)33-5-2/h6-13,22H,4-5,14H2,1-3H3,(H,27,30)(H2,26,28,35)