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

Systemtic Name: methyl 3-[2-(2-methylsulfanyl-4-oxidanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)ethanoylamino]benzoate Openeye Name: methyl 3-[[2-(2-methylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetyl]amino]benzoate CAS Name: 3-[[2-[2-(methylthio)-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(2-methylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetyl]amino]benzoate Traditional Name: 3-[[2-[4-keto-2-(methylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]acetyl]amino]benzoic acid methyl ester Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O4S/c1-25-17(24)11-5-3-6-12(9-11)19-15(22)10-21-16(23)13-7-4-8-14(13)20-18(21)26-2/h3,5-6,9H,4,7-8,10H2,1-2H3,(H,19,22)