3-phenylpropyl 2-[(5-cyano-6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoate

Systemtic Name: 3-phenylpropyl 2-[(5-cyano-6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoate Openeye Name: 3-phenylpropyl 2-[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate CAS Name: 2-[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)thio]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate Traditional Name: 2-[(5-cyano-6-ethyl-4-keto-1H-pyrimidin-2-yl)thio]acetic acid 3-phenylpropyl ester Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N=C(N1)SCC(=O)OCCCC2=CC=CC=C2)C#N

Isomeric SMILES

CCC1=C(C(=O)N=C(N1)SCC(=O)OCCCC2=CC=CC=C2)C#N

InChI

InChI=1S/C18H19N3O3S/c1-2-15-14(11-19)17(23)21-18(20-15)25-12-16(22)24-10-6-9-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-10,12H2,1H3,(H,20,21,23)