2-phenoxyethyl 2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethanoate

Systemtic Name: 2-phenoxyethyl 2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethanoate Openeye Name: 2-phenoxyethyl 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetate CAS Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]acetic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetate Traditional Name: 2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]acetic acid 2-phenoxyethyl ester Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)OCCOC3=CC=CC=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)OCCOC3=CC=CC=C3)C#N

InChI

InChI=1S/C21H17N3O4S/c22-13-17-19(15-7-3-1-4-8-15)23-21(24-20(17)26)29-14-18(25)28-12-11-27-16-9-5-2-6-10-16/h1-10H,11-12,14H2,(H,23,24,26)