N-[5-(furan-2-ylmethylcarbamoyl)-2-methyl-phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide

Systemtic Name: N-[5-(furan-2-ylmethylcarbamoyl)-2-methyl-phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Openeye Name: N-[5-(2-furylmethylcarbamoyl)-2-methyl-phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide CAS Name: N-[5-[(2-furanylmethylamino)-oxomethyl]-2-methylphenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide IUPAC Name: N-[5-(furan-2-ylmethylcarbamoyl)-2-methylphenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Traditional Name: N-[5-(2-furfurylcarbamoyl)-2-methyl-phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC2=CC=CO2)NC(=O)C3=CSCCO3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC2=CC=CO2)NC(=O)C3=CSCCO3

InChI

InChI=1S/C18H18N2O4S/c1-12-4-5-13(17(21)19-10-14-3-2-6-23-14)9-15(12)20-18(22)16-11-25-8-7-24-16/h2-6,9,11H,7-8,10H2,1H3,(H,19,21)(H,20,22)