N-[5-[2-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)ethylcarbamoyl]-2-methyl-phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide

Systemtic Name: N-[5-[2-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)ethylcarbamoyl]-2-methyl-phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Openeye Name: N-[5-[2-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)ethylcarbamoyl]-2-methyl-phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide CAS Name: N-[5-[[2-(1-ethyl-3,5-dimethyl-4-pyrazolyl)ethylamino]-oxomethyl]-2-methylphenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide IUPAC Name: N-[5-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylcarbamoyl]-2-methylphenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Traditional Name: N-[5-[2-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)ethylcarbamoyl]-2-methyl-phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)CCNC(=O)C2=CC(=C(C=C2)C)NC(=O)C3=CSCCO3)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)CCNC(=O)C2=CC(=C(C=C2)C)NC(=O)C3=CSCCO3)C

InChI

InChI=1S/C22H28N4O3S/c1-5-26-16(4)18(15(3)25-26)8-9-23-21(27)17-7-6-14(2)19(12-17)24-22(28)20-13-30-11-10-29-20/h6-7,12-13H,5,8-11H2,1-4H3,(H,23,27)(H,24,28)