N-[4-(cyanomethoxymethyl)-1-(ethoxymethoxy)-5-sulfanyl-pentan-2-yl]-4-nitro-benzamide

Systemtic Name: N-[4-(cyanomethoxymethyl)-1-(ethoxymethoxy)-5-sulfanyl-pentan-2-yl]-4-nitro-benzamide Openeye Name: N-[3-(cyanomethoxymethyl)-1-(ethoxymethoxymethyl)-4-sulfanyl-butyl]-4-nitro-benzamide CAS Name: N-[4-(cyanomethoxymethyl)-1-(ethoxymethoxy)-5-mercaptopentan-2-yl]-4-nitrobenzamide IUPAC Name: N-[4-(cyanomethoxymethyl)-1-(ethoxymethoxy)-5-sulfanylpentan-2-yl]-4-nitrobenzamide Traditional Name: N-[3-(cyanomethoxymethyl)-1-(ethoxymethoxymethyl)-4-mercapto-butyl]-4-nitro-benzamide Formula: C18H25N3O6S MolecularWeight: 411.4726

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Descriptors Computed from Structure

Canonical SMILES:

CCOCOCC(CC(COCC#N)CS)NC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCOCOCC(CC(COCC#N)CS)NC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C18H25N3O6S/c1-2-25-13-27-11-16(9-14(12-28)10-26-8-7-19)20-18(22)15-3-5-17(6-4-15)21(23)24/h3-6,14,16,28H,2,8-13H2,1H3,(H,20,22)