2-[2-(2-acetamidoethylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-(2-acetamidoethylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(2-acetamidoethylamino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(2-acetamidoethylamino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(2-acetamidoethylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(2-acetamidoethylamino)-2-keto-ethyl]thio]nicotinic acid Formula: C12H15N3O4S MolecularWeight: 297.3302

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC(=O)CSC1=C(C=CC=N1)C(=O)O

Isomeric SMILES

CC(=O)NCCNC(=O)CSC1=C(C=CC=N1)C(=O)O

InChI

InChI=1S/C12H15N3O4S/c1-8(16)13-5-6-14-10(17)7-20-11-9(12(18)19)3-2-4-15-11/h2-4H,5-7H2,1H3,(H,13,16)(H,14,17)(H,18,19)