2-[(3,4-dimethoxyphenyl)methyl]-N-(2-methylsulfanylethyl)-1,3-benzoxazole-6-carboxamide

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methyl]-N-(2-methylsulfanylethyl)-1,3-benzoxazole-6-carboxamide Openeye Name: 2-[(3,4-dimethoxyphenyl)methyl]-N-(2-methylsulfanylethyl)-1,3-benzoxazole-6-carboxamide CAS Name: 2-[(3,4-dimethoxyphenyl)methyl]-N-[2-(methylthio)ethyl]-1,3-benzoxazole-6-carboxamide IUPAC Name: 2-[(3,4-dimethoxyphenyl)methyl]-N-(2-methylsulfanylethyl)-1,3-benzoxazole-6-carboxamide Traditional Name: N-[2-(methylthio)ethyl]-2-veratryl-1,3-benzoxazole-6-carboxamide Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NC3=C(O2)C=C(C=C3)C(=O)NCCSC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NC3=C(O2)C=C(C=C3)C(=O)NCCSC)OC

InChI

InChI=1S/C20H22N2O4S/c1-24-16-7-4-13(10-18(16)25-2)11-19-22-15-6-5-14(12-17(15)26-19)20(23)21-8-9-27-3/h4-7,10,12H,8-9,11H2,1-3H3,(H,21,23)