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

Systemtic Name: N-[4-[(2,3-dimethoxyphenyl)methylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Openeye Name: N-[4-[(2,3-dimethoxyphenyl)methylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide CAS Name: N-[4-[[(2,3-dimethoxyphenyl)methylamino]-oxomethyl]phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide IUPAC Name: N-[4-[(2,3-dimethoxyphenyl)methylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Traditional Name: N-[4-(o-veratrylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CNC(=O)C2=CC=C(C=C2)NC(=O)C3=CSCCO3

Isomeric SMILES

COC1=CC=CC(=C1OC)CNC(=O)C2=CC=C(C=C2)NC(=O)C3=CSCCO3

InChI

InChI=1S/C21H22N2O5S/c1-26-17-5-3-4-15(19(17)27-2)12-22-20(24)14-6-8-16(9-7-14)23-21(25)18-13-29-11-10-28-18/h3-9,13H,10-12H2,1-2H3,(H,22,24)(H,23,25)