2-[2-oxidanylidene-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-oxidanylidene-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-oxo-2-(tetralin-1-ylamino)ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-keto-2-(tetralin-1-ylamino)ethyl]thio]nicotinic acid Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=CC=CC=C2C1)NC(=O)CSC3=C(C=CC=N3)C(=O)O

Isomeric SMILES

C1CC(C2=CC=CC=C2C1)NC(=O)CSC3=C(C=CC=N3)C(=O)O

InChI

InChI=1S/C18H18N2O3S/c21-16(11-24-17-14(18(22)23)8-4-10-19-17)20-15-9-3-6-12-5-1-2-7-13(12)15/h1-2,4-5,7-8,10,15H,3,6,9,11H2,(H,20,21)(H,22,23)