N-[2-(3-methoxy-4-oxidanyl-phenyl)ethyl]-4-methyl-1,2-dithiolane-4-carboxamide

Systemtic Name: N-[2-(3-methoxy-4-oxidanyl-phenyl)ethyl]-4-methyl-1,2-dithiolane-4-carboxamide Openeye Name: N-[2-(4-hydroxy-3-methoxy-phenyl)ethyl]-4-methyl-dithiolane-4-carboxamide CAS Name: N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-methyl-4-dithiolanecarboxamide IUPAC Name: N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-methyldithiolane-4-carboxamide Traditional Name: N-homovanillyl-4-methyl-dithiolane-4-carboxamide Formula: C14H19NO3S2 MolecularWeight: 313.43556

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSSC1)C(=O)NCCC2=CC(=C(C=C2)O)OC

Isomeric SMILES

CC1(CSSC1)C(=O)NCCC2=CC(=C(C=C2)O)OC

InChI

InChI=1S/C14H19NO3S2/c1-14(8-19-20-9-14)13(17)15-6-5-10-3-4-11(16)12(7-10)18-2/h3-4,7,16H,5-6,8-9H2,1-2H3,(H,15,17)