[2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] pyridine-4-carboxylate

Systemtic Name: [2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] pyridine-4-carboxylate Openeye Name: [2-[2-(2-amino-2-oxo-ethyl)sulfanylanilino]-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-[2-[(2-amino-2-oxoethyl)thio]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-[2-[(2-amino-2-keto-ethyl)thio]anilino]-2-keto-ethyl] ester Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O4S/c17-14(20)10-24-13-4-2-1-3-12(13)19-15(21)9-23-16(22)11-5-7-18-8-6-11/h1-8H,9-10H2,(H2,17,20)(H,19,21)