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

Systemtic Name: propyl 4-[2-(4-oxidanylidene-2-phenethylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)ethanoylamino]benzoate Openeye Name: propyl 4-[[2-(4-oxo-2-phenethylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[4-oxo-2-(phenethylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]ethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-(4-oxo-2-phenethylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-[4-keto-2-(phenethylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]acetyl]amino]benzoic acid propyl ester Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C3=C(CCC3)N=C2SCCC4=CC=CC=C4

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C3=C(CCC3)N=C2SCCC4=CC=CC=C4

InChI

InChI=1S/C27H29N3O4S/c1-2-16-34-26(33)20-11-13-21(14-12-20)28-24(31)18-30-25(32)22-9-6-10-23(22)29-27(30)35-17-15-19-7-4-3-5-8-19/h3-5,7-8,11-14H,2,6,9-10,15-18H2,1H3,(H,28,31)