(2-oxidanylidene-2-phenylazanyl-ethyl) 2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylpyridine-3-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylpyridine-3-carboxylate Openeye Name: (2-anilino-2-oxo-ethyl) 2-(2-anilino-2-oxo-ethyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(2-anilino-2-oxoethyl)thio]-3-pyridinecarboxylic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 2-(2-anilino-2-oxoethyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(2-anilino-2-keto-ethyl)thio]nicotinic acid (2-anilino-2-keto-ethyl) ester Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)COC(=O)C2=C(N=CC=C2)SCC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)COC(=O)C2=C(N=CC=C2)SCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H19N3O4S/c26-19(24-16-8-3-1-4-9-16)14-29-22(28)18-12-7-13-23-21(18)30-15-20(27)25-17-10-5-2-6-11-17/h1-13H,14-15H2,(H,24,26)(H,25,27)