2-[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: 2-[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: 2-[2-(4-acetamidoanilino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-(4-acetamidoanilino)-2-oxoethyl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-(4-acetamidoanilino)-2-keto-ethyl]thio]nicotinate Formula: C16H14N3O4S- MolecularWeight: 344.36506

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=C(C=CC=N2)C(=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=C(C=CC=N2)C(=O)[O-]

InChI

InChI=1S/C16H15N3O4S/c1-10(20)18-11-4-6-12(7-5-11)19-14(21)9-24-15-13(16(22)23)3-2-8-17-15/h2-8H,9H2,1H3,(H,18,20)(H,19,21)(H,22,23)/p-1