2-[(1-cyano-4-oxidanyl-[1]benzothiolo[3,2-c]pyridin-3-yl)carbonylamino]ethanoic acid

Systemtic Name: 2-[(1-cyano-4-oxidanyl-[1]benzothiolo[3,2-c]pyridin-3-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(1-cyano-4-hydroxy-benzothiopheno[3,2-c]pyridine-3-carbonyl)amino]acetic acid CAS Name: 2-[[(1-cyano-4-hydroxy-[1]benzothiolo[3,2-c]pyridin-3-yl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(1-cyano-4-hydroxy-[1]benzothiolo[3,2-c]pyridine-3-carbonyl)amino]acetic acid Traditional Name: 2-[(1-cyano-4-hydroxy-benzothiopheno[3,2-c]pyridine-3-carbonyl)amino]acetic acid Formula: C15H9N3O4S MolecularWeight: 327.31466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(N=C(C(=C3S2)O)C(=O)NCC(=O)O)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(N=C(C(=C3S2)O)C(=O)NCC(=O)O)C#N

InChI

InChI=1S/C15H9N3O4S/c16-5-8-11-7-3-1-2-4-9(7)23-14(11)13(21)12(18-8)15(22)17-6-10(19)20/h1-4,21H,6H2,(H,17,22)(H,19,20)