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

Systemtic Name: N-[5-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]-2-methyl-phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Openeye Name: N-[5-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]-2-methyl-phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide CAS Name: N-[5-[[2-(3,4-dimethoxyphenyl)ethylamino]-oxomethyl]-2-methylphenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide IUPAC Name: N-[5-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]-2-methylphenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Traditional Name: N-[5-(homoveratrylcarbamoyl)-2-methyl-phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCC2=CC(=C(C=C2)OC)OC)NC(=O)C3=CSCCO3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCC2=CC(=C(C=C2)OC)OC)NC(=O)C3=CSCCO3

InChI

InChI=1S/C23H26N2O5S/c1-15-4-6-17(13-18(15)25-23(27)21-14-31-11-10-30-21)22(26)24-9-8-16-5-7-19(28-2)20(12-16)29-3/h4-7,12-14H,8-11H2,1-3H3,(H,24,26)(H,25,27)