3-[[bis(cyanomethyl)amino]methyl]-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-[[bis(cyanomethyl)amino]methyl]-1-benzothiophene-2-carboxylic acid Openeye Name: 3-[[bis(cyanomethyl)amino]methyl]benzothiophene-2-carboxylic acid CAS Name: 3-[[bis(cyanomethyl)amino]methyl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-[[bis(cyanomethyl)amino]methyl]-1-benzothiophene-2-carboxylic acid Traditional Name: 3-[[bis(cyanomethyl)amino]methyl]benzothiophene-2-carboxylic acid Formula: C14H11N3O2S MolecularWeight: 285.32104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)O)CN(CC#N)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)O)CN(CC#N)CC#N

InChI

InChI=1S/C14H11N3O2S/c15-5-7-17(8-6-16)9-11-10-3-1-2-4-12(10)20-13(11)14(18)19/h1-4H,7-9H2,(H,18,19)