ethyl 3-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-oxidanylidene-1,3-thiazinan-3-yl]propanoate

Systemtic Name: ethyl 3-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-oxidanylidene-1,3-thiazinan-3-yl]propanoate Openeye Name: ethyl 3-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-oxo-1,3-thiazinan-3-yl]propanoate CAS Name: 3-[2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-4-oxo-1,3-thiazinan-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-oxo-1,3-thiazinan-3-yl]propanoate Traditional Name: 3-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-keto-1,3-thiazinan-3-yl]propionic acid ethyl ester Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C(SCCC1=O)C2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)CCN1C(SCCC1=O)C2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C20H25N3O3S/c1-4-26-18(25)10-12-22-17(24)11-13-27-20(22)19-14(2)21-23(15(19)3)16-8-6-5-7-9-16/h5-9,20H,4,10-13H2,1-3H3