5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylphenyl)sulfanylethyl]-1,2-oxazole-3-carboxamide

Systemtic Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylphenyl)sulfanylethyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(p-tolylsulfanyl)ethyl]isoxazole-3-carboxamide CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(4-methylphenyl)thio]ethyl]-3-isoxazolecarboxamide IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylphenyl)sulfanylethyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(p-tolylthio)ethyl]isoxazole-3-carboxamide Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)C2=NOC(=C2)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)C2=NOC(=C2)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H20N2O4S/c1-14-2-5-16(6-3-14)28-11-8-22-21(24)17-13-19(27-23-17)15-4-7-18-20(12-15)26-10-9-25-18/h2-7,12-13H,8-11H2,1H3,(H,22,24)