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

Systemtic Name: methyl 4-[2-[4-methyl-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(2-benzylsulfanyl-4-methyl-6-oxo-pyrimidin-1-yl)acetyl]amino]benzoate CAS Name: 4-[[2-[4-methyl-6-oxo-2-(phenylmethylthio)-1-pyrimidinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(2-benzylsulfanyl-4-methyl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-[2-(benzylthio)-6-keto-4-methyl-pyrimidin-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C22H21N3O4S MolecularWeight: 423.48484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)SCC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=O)N(C(=N1)SCC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H21N3O4S/c1-15-12-20(27)25(22(23-15)30-14-16-6-4-3-5-7-16)13-19(26)24-18-10-8-17(9-11-18)21(28)29-2/h3-12H,13-14H2,1-2H3,(H,24,26)