methyl 4-[[methyl-[2-oxidanylidene-4-(pyrimidin-2-ylsulfanylmethyl)cyclobutyl]carbonyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[methyl-[2-oxidanylidene-4-(pyrimidin-2-ylsulfanylmethyl)cyclobutyl]carbonyl-amino]methyl]benzoate Openeye Name: methyl 4-[[methyl-[2-oxo-4-(pyrimidin-2-ylsulfanylmethyl)cyclobutanecarbonyl]amino]methyl]benzoate CAS Name: 4-[[methyl-[oxo-[2-oxo-4-[(2-pyrimidinylthio)methyl]cyclobutyl]methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[methyl-[2-oxo-4-(pyrimidin-2-ylsulfanylmethyl)cyclobutanecarbonyl]amino]methyl]benzoate Traditional Name: 4-[[[2-keto-4-[(2-pyrimidylthio)methyl]cyclobutanecarbonyl]-methyl-amino]methyl]benzoic acid methyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)C2C(CC2=O)CSC3=NC=CC=N3

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)C2C(CC2=O)CSC3=NC=CC=N3

InChI

InChI=1S/C20H21N3O4S/c1-23(11-13-4-6-14(7-5-13)19(26)27-2)18(25)17-15(10-16(17)24)12-28-20-21-8-3-9-22-20/h3-9,15,17H,10-12H2,1-2H3