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

Systemtic Name: N-[(3-methoxy-4-oxidanyl-phenyl)methyl]-4-methyl-1,2-dithiolane-4-carboxamide Openeye Name: N-[(4-hydroxy-3-methoxy-phenyl)methyl]-4-methyl-dithiolane-4-carboxamide CAS Name: N-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methyl-4-dithiolanecarboxamide IUPAC Name: N-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methyldithiolane-4-carboxamide Traditional Name: 4-methyl-N-vanillyl-dithiolane-4-carboxamide Formula: C13H17NO3S2 MolecularWeight: 299.40898

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSSC1)C(=O)NCC2=CC(=C(C=C2)O)OC

Isomeric SMILES

CC1(CSSC1)C(=O)NCC2=CC(=C(C=C2)O)OC

InChI

InChI=1S/C13H17NO3S2/c1-13(7-18-19-8-13)12(16)14-6-9-3-4-10(15)11(5-9)17-2/h3-5,15H,6-8H2,1-2H3,(H,14,16)