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

Systemtic Name: propan-2-yl 2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethanoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CSC1=NC(=O)C(=C(N1)C2=CC=CC=C2)C#N

Isomeric SMILES

CC(C)OC(=O)CSC1=NC(=O)C(=C(N1)C2=CC=CC=C2)C#N

InChI

InChI=1S/C16H15N3O3S/c1-10(2)22-13(20)9-23-16-18-14(11-6-4-3-5-7-11)12(8-17)15(21)19-16/h3-7,10H,9H2,1-2H3,(H,18,19,21)