(4R)-6-oxidanylidene-N-[(2,4,6-trimethoxyphenyl)methyl]-1,2-dithia-5-azacycloundecane-4-carboxamide

Systemtic Name: (4R)-6-oxidanylidene-N-[(2,4,6-trimethoxyphenyl)methyl]-1,2-dithia-5-azacycloundecane-4-carboxamide Openeye Name: (4R)-6-oxo-N-[(2,4,6-trimethoxyphenyl)methyl]-1,2-dithia-5-azacycloundecane-4-carboxamide CAS Name: (4R)-6-oxo-N-[(2,4,6-trimethoxyphenyl)methyl]-1,2-dithia-5-azacycloundecane-4-carboxamide IUPAC Name: (4R)-6-oxo-N-[(2,4,6-trimethoxyphenyl)methyl]-1,2-dithia-5-azacycloundecane-4-carboxamide Traditional Name: (4R)-6-keto-N-(2,4,6-trimethoxybenzyl)-1,2-dithia-5-azacycloundecane-4-carboxamide Formula: C19H28N2O5S2 MolecularWeight: 428.56602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)OC)CNC(=O)C2CSSCCCCCC(=O)N2)OC

Isomeric SMILES

COC1=CC(=C(C(=C1)OC)CNC(=O)[C@@H]2CSSCCCCCC(=O)N2)OC

InChI

InChI=1S/C19H28N2O5S2/c1-24-13-9-16(25-2)14(17(10-13)26-3)11-20-19(23)15-12-28-27-8-6-4-5-7-18(22)21-15/h9-10,15H,4-8,11-12H2,1-3H3,(H,20,23)(H,21,22)/t15-/m0/s1