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

Systemtic Name: N-[4-[2-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)ethylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Openeye Name: N-[4-[2-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)ethylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide CAS Name: N-[4-[[2-(1-ethyl-3,5-dimethyl-4-pyrazolyl)ethylamino]-oxomethyl]phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide IUPAC Name: N-[4-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Traditional Name: N-[4-[2-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)ethylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3S/c1-4-25-15(3)18(14(2)24-25)9-10-22-20(26)16-5-7-17(8-6-16)23-21(27)19-13-29-12-11-28-19/h5-8,13H,4,9-12H2,1-3H3,(H,22,26)(H,23,27)