ethyl 2-[2-[4-methyl-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 2-[2-[4-methyl-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 2-[[2-(2-benzylsulfanyl-4-methyl-6-oxo-pyrimidin-1-yl)acetyl]amino]benzoate CAS Name: 2-[[2-[4-methyl-6-oxo-2-(phenylmethylthio)-1-pyrimidinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-benzylsulfanyl-4-methyl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate Traditional Name: 2-[[2-[2-(benzylthio)-6-keto-4-methyl-pyrimidin-1-yl]acetyl]amino]benzoic acid ethyl ester Formula: C23H23N3O4S MolecularWeight: 437.51142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CN2C(=O)C=C(N=C2SCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CN2C(=O)C=C(N=C2SCC3=CC=CC=C3)C

InChI

InChI=1S/C23H23N3O4S/c1-3-30-22(29)18-11-7-8-12-19(18)25-20(27)14-26-21(28)13-16(2)24-23(26)31-15-17-9-5-4-6-10-17/h4-13H,3,14-15H2,1-2H3,(H,25,27)