N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitro-benzamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitro-benzamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitro-benzamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitro-benzamide Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NCCSCC2=CC=CC=C2C#N)OC

Isomeric SMILES

COCCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NCCSCC2=CC=CC=C2C#N)OC

InChI

InChI=1S/C21H23N3O6S/c1-28-8-9-30-20-12-18(24(26)27)17(11-19(20)29-2)21(25)23-7-10-31-14-16-6-4-3-5-15(16)13-22/h3-6,11-12H,7-10,14H2,1-2H3,(H,23,25)