ethyl 4-[2-[[5-(diphenylmethyl)-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[[5-(diphenylmethyl)-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(5-benzhydryl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[5-(diphenylmethyl)-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(5-benzhydryl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5-benzhydryl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C28H25N3O5S MolecularWeight: 515.5802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=C(C(=O)N2)C(C3=CC=CC=C3)C4=CC=CC=C4)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=C(C(=O)N2)C(C3=CC=CC=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C28H25N3O5S/c1-2-36-27(35)20-13-15-21(16-14-20)29-22(32)17-37-28-30-25(33)24(26(34)31-28)23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16,23H,2,17H2,1H3,(H,29,32)(H2,30,31,33,34)