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

Systemtic Name: 2-[2-oxidanylidene-2-(3-propan-2-yloxypropylamino)ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(3-isopropoxypropylamino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(3-isopropoxypropylamino)-2-keto-ethyl]thio]nicotinic acid Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O4S/c1-10(2)20-8-4-7-15-12(17)9-21-13-11(14(18)19)5-3-6-16-13/h3,5-6,10H,4,7-9H2,1-2H3,(H,15,17)(H,18,19)