2-(2-acetamidoethylsulfanyl)pyridine-3-carboxylic acid

Systemtic Name: 2-(2-acetamidoethylsulfanyl)pyridine-3-carboxylic acid Openeye Name: 2-(2-acetamidoethylsulfanyl)pyridine-3-carboxylic acid CAS Name: 2-(2-acetamidoethylthio)-3-pyridinecarboxylic acid IUPAC Name: 2-(2-acetamidoethylsulfanyl)pyridine-3-carboxylic acid Traditional Name: 2-(2-acetamidoethylthio)nicotinic acid Formula: C10H12N2O3S MolecularWeight: 240.27888

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCSC1=C(C=CC=N1)C(=O)O

Isomeric SMILES

CC(=O)NCCSC1=C(C=CC=N1)C(=O)O

InChI

InChI=1S/C10H12N2O3S/c1-7(13)11-5-6-16-9-8(10(14)15)3-2-4-12-9/h2-4H,5-6H2,1H3,(H,11,13)(H,14,15)