butyl 4-[2-(2-methylsulfanyl-4-oxidanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(2-methylsulfanyl-4-oxidanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(2-methylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetyl]amino]benzoate CAS Name: 4-[[2-[2-(methylthio)-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(2-methylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-[4-keto-2-(methylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]acetyl]amino]benzoic acid butyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C3=C(CCC3)N=C2SC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C3=C(CCC3)N=C2SC

InChI

InChI=1S/C21H25N3O4S/c1-3-4-12-28-20(27)14-8-10-15(11-9-14)22-18(25)13-24-19(26)16-6-5-7-17(16)23-21(24)29-2/h8-11H,3-7,12-13H2,1-2H3,(H,22,25)