2-(2-azanyl-1-naphthalen-1-yl-2-oxidanylidene-ethyl)sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-(2-azanyl-1-naphthalen-1-yl-2-oxidanylidene-ethyl)sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-amino-1-(1-naphthyl)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-amino-1-(1-naphthalenyl)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-(2-amino-1-naphthalen-1-yl-2-oxoethyl)sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-amino-2-keto-1-(1-naphthyl)ethyl]thio]nicotinic acid Formula: C18H14N2O3S MolecularWeight: 338.38036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C(C(=O)N)SC3=C(C=CC=N3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C(C(=O)N)SC3=C(C=CC=N3)C(=O)O

InChI

InChI=1S/C18H14N2O3S/c19-16(21)15(24-17-14(18(22)23)9-4-10-20-17)13-8-3-6-11-5-1-2-7-12(11)13/h1-10,15H,(H2,19,21)(H,22,23)