2-[2-oxidanylidene-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-oxidanylidene-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-(2-oxo-2-tetralin-6-yl-ethyl)sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[(2-keto-2-tetralin-6-yl-ethyl)thio]nicotinic acid Formula: C18H17NO3S MolecularWeight: 327.39748

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)C(=O)CSC3=C(C=CC=N3)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)C(=O)CSC3=C(C=CC=N3)C(=O)O

InChI

InChI=1S/C18H17NO3S/c20-16(11-23-17-15(18(21)22)6-3-9-19-17)14-8-7-12-4-1-2-5-13(12)10-14/h3,6-10H,1-2,4-5,11H2,(H,21,22)