4-[(2,3-dimethoxyphenyl)methylsulfanyl]-N-(2-methoxyethyl)-3-nitro-benzamide

Systemtic Name: 4-[(2,3-dimethoxyphenyl)methylsulfanyl]-N-(2-methoxyethyl)-3-nitro-benzamide Openeye Name: 4-[(2,3-dimethoxyphenyl)methylsulfanyl]-N-(2-methoxyethyl)-3-nitro-benzamide CAS Name: 4-[(2,3-dimethoxyphenyl)methylthio]-N-(2-methoxyethyl)-3-nitrobenzamide IUPAC Name: 4-[(2,3-dimethoxyphenyl)methylsulfanyl]-N-(2-methoxyethyl)-3-nitrobenzamide Traditional Name: N-(2-methoxyethyl)-3-nitro-4-(o-veratrylthio)benzamide Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=CC(=C(C=C1)SCC2=C(C(=CC=C2)OC)OC)[N+](=O)[O-]

Isomeric SMILES

COCCNC(=O)C1=CC(=C(C=C1)SCC2=C(C(=CC=C2)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H22N2O6S/c1-25-10-9-20-19(22)13-7-8-17(15(11-13)21(23)24)28-12-14-5-4-6-16(26-2)18(14)27-3/h4-8,11H,9-10,12H2,1-3H3,(H,20,22)