2-azanyl-3-[(4-cyano-1-benzothiophen-2-yl)carbonylamino]propanoic acid

Systemtic Name: 2-azanyl-3-[(4-cyano-1-benzothiophen-2-yl)carbonylamino]propanoic acid Openeye Name: 2-amino-3-[(4-cyanobenzothiophene-2-carbonyl)amino]propanoic acid CAS Name: 2-amino-3-[[(4-cyano-1-benzothiophen-2-yl)-oxomethyl]amino]propanoic acid IUPAC Name: 2-amino-3-[(4-cyano-1-benzothiophene-2-carbonyl)amino]propanoic acid Traditional Name: 2-amino-3-[(4-cyanobenzothiophene-2-carbonyl)amino]propionic acid Formula: C13H11N3O3S MolecularWeight: 289.30974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=C(SC2=C1)C(=O)NCC(C(=O)O)N)C#N

Isomeric SMILES

C1=CC(=C2C=C(SC2=C1)C(=O)NCC(C(=O)O)N)C#N

InChI

InChI=1S/C13H11N3O3S/c14-5-7-2-1-3-10-8(7)4-11(20-10)12(17)16-6-9(15)13(18)19/h1-4,9H,6,15H2,(H,16,17)(H,18,19)