N-[2-(3,5-dimethoxyphenyl)ethyl]-10,10-bis(oxidanylidene)phenoxathiine-1-carboxamide

Systemtic Name: N-[2-(3,5-dimethoxyphenyl)ethyl]-10,10-bis(oxidanylidene)phenoxathiine-1-carboxamide Openeye Name: N-[2-(3,5-dimethoxyphenyl)ethyl]-10,10-dioxo-phenoxathiine-1-carboxamide CAS Name: N-[2-(3,5-dimethoxyphenyl)ethyl]-10,10-dioxo-1-phenoxathiinecarboxamide IUPAC Name: N-[2-(3,5-dimethoxyphenyl)ethyl]-10,10-dioxophenoxathiine-1-carboxamide Traditional Name: N-[2-(3,5-dimethoxyphenyl)ethyl]-10,10-diketo-phenoxathiine-1-carboxamide Formula: C23H21NO6S MolecularWeight: 439.48094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CCNC(=O)C2=C3C(=CC=C2)OC4=CC=CC=C4S3(=O)=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CCNC(=O)C2=C3C(=CC=C2)OC4=CC=CC=C4S3(=O)=O)OC

InChI

InChI=1S/C23H21NO6S/c1-28-16-12-15(13-17(14-16)29-2)10-11-24-23(25)18-6-5-8-20-22(18)31(26,27)21-9-4-3-7-19(21)30-20/h3-9,12-14H,10-11H2,1-2H3,(H,24,25)