methyl 4-[[methyl-[(4R)-2-oxidanylidene-4-(pyrimidin-2-ylsulfanylmethyl)azetidin-1-yl]carbonyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[methyl-[(4R)-2-oxidanylidene-4-(pyrimidin-2-ylsulfanylmethyl)azetidin-1-yl]carbonyl-amino]methyl]benzoate Openeye Name: methyl 4-[[methyl-[(4R)-2-oxo-4-(pyrimidin-2-ylsulfanylmethyl)azetidine-1-carbonyl]amino]methyl]benzoate CAS Name: 4-[[methyl-[oxo-[(4R)-2-oxo-4-[(2-pyrimidinylthio)methyl]-1-azetidinyl]methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[methyl-[(4R)-2-oxo-4-(pyrimidin-2-ylsulfanylmethyl)azetidine-1-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[[(4R)-2-keto-4-[(2-pyrimidylthio)methyl]azetidine-1-carbonyl]-methyl-amino]methyl]benzoic acid methyl ester Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)N2C(CC2=O)CSC3=NC=CC=N3

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)N2[C@H](CC2=O)CSC3=NC=CC=N3

InChI

InChI=1S/C19H20N4O4S/c1-22(11-13-4-6-14(7-5-13)17(25)27-2)19(26)23-15(10-16(23)24)12-28-18-20-8-3-9-21-18/h3-9,15H,10-12H2,1-2H3/t15-/m1/s1