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

Systemtic Name: ethyl 4-[[6-methyl-4-(2-phenylmethoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[4-(2-benzyloxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate CAS Name: 4-[[[6-methyl-4-(2-phenylmethoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[6-methyl-4-(2-phenylmethoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate Traditional Name: 4-[[4-(2-benzoxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoic acid ethyl ester Formula: C28H27N3O4S MolecularWeight: 501.59668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(NC(=S)NC2C3=CC=CC=C3OCC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(NC(=S)NC2C3=CC=CC=C3OCC4=CC=CC=C4)C

InChI

InChI=1S/C28H27N3O4S/c1-3-34-27(33)20-13-15-21(16-14-20)30-26(32)24-18(2)29-28(36)31-25(24)22-11-7-8-12-23(22)35-17-19-9-5-4-6-10-19/h4-16,25H,3,17H2,1-2H3,(H,30,32)(H2,29,31,36)