(3-cyanophenyl)methyl 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: (3-cyanophenyl)methyl 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: (3-cyanophenyl)methyl 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid (3-cyanobenzyl) ester Formula: C17H10N2O4S MolecularWeight: 338.3373

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC(=C1)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H10N2O4S/c18-9-11-2-1-3-12(6-11)10-23-17(20)16-8-13-7-14(19(21)22)4-5-15(13)24-16/h1-8H,10H2