ethyl 4-[4-(3,5-dimethylpyrazol-1-yl)phenyl]carbonylthiomorpholine-3-carboxylate

Systemtic Name: ethyl 4-[4-(3,5-dimethylpyrazol-1-yl)phenyl]carbonylthiomorpholine-3-carboxylate Openeye Name: ethyl 4-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]thiomorpholine-3-carboxylate CAS Name: 4-[[4-(3,5-dimethyl-1-pyrazolyl)phenyl]-oxomethyl]-3-thiomorpholinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]thiomorpholine-3-carboxylate Traditional Name: 4-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]thiomorpholine-3-carboxylic acid ethyl ester Formula: C19H23N3O3S MolecularWeight: 373.46922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CSCCN1C(=O)C2=CC=C(C=C2)N3C(=CC(=N3)C)C

Isomeric SMILES

CCOC(=O)C1CSCCN1C(=O)C2=CC=C(C=C2)N3C(=CC(=N3)C)C

InChI

InChI=1S/C19H23N3O3S/c1-4-25-19(24)17-12-26-10-9-21(17)18(23)15-5-7-16(8-6-15)22-14(3)11-13(2)20-22/h5-8,11,17H,4,9-10,12H2,1-3H3