2-[(2-acetamido-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: 2-[(2-acetamido-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: 2-[(2-acetamidothiazol-4-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(2-acetamido-4-thiazolyl)methylthio]-3-pyridinecarboxylate IUPAC Name: 2-[(2-acetamido-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(2-acetamidothiazol-4-yl)methylthio]nicotinate Formula: C12H10N3O3S2- MolecularWeight: 308.3561

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)CSC2=C(C=CC=N2)C(=O)[O-]

Isomeric SMILES

CC(=O)NC1=NC(=CS1)CSC2=C(C=CC=N2)C(=O)[O-]

InChI

InChI=1S/C12H11N3O3S2/c1-7(16)14-12-15-8(6-20-12)5-19-10-9(11(17)18)3-2-4-13-10/h2-4,6H,5H2,1H3,(H,17,18)(H,14,15,16)/p-1