2-[ethoxycarbonyl-(ethoxycarbonylamino)amino]sulfanylpyridine-4-carboxylic acid

Systemtic Name: 2-[ethoxycarbonyl-(ethoxycarbonylamino)amino]sulfanylpyridine-4-carboxylic acid Openeye Name: 2-[ethoxycarbonyl-(ethoxycarbonylamino)amino]sulfanylpyridine-4-carboxylic acid CAS Name: 2-[[ethoxycarbonyl-(ethoxycarbonylamino)amino]thio]-4-pyridinecarboxylic acid IUPAC Name: 2-[ethoxycarbonyl-(ethoxycarbonylamino)amino]sulfanylpyridine-4-carboxylic acid Traditional Name: 2-[[carbethoxy-(carbethoxyamino)amino]thio]isonicotinic acid Formula: C12H15N3O6S MolecularWeight: 329.329

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NN(C(=O)OCC)SC1=NC=CC(=C1)C(=O)O

Isomeric SMILES

CCOC(=O)NN(C(=O)OCC)SC1=NC=CC(=C1)C(=O)O

InChI

InChI=1S/C12H15N3O6S/c1-3-20-11(18)14-15(12(19)21-4-2)22-9-7-8(10(16)17)5-6-13-9/h5-7H,3-4H2,1-2H3,(H,14,18)(H,16,17)