[2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate

Systemtic Name: [2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate Openeye Name: [2-[(2-amino-2-oxo-ethyl)amino]-2-oxo-ethyl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(2-chlorophenyl)thio]-3-pyridinecarboxylic acid [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(2-chlorophenyl)thio]nicotinic acid [2-[(2-amino-2-keto-ethyl)amino]-2-keto-ethyl] ester Formula: C16H14ClN3O4S MolecularWeight: 379.81806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)SC2=C(C=CC=N2)C(=O)OCC(=O)NCC(=O)N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)SC2=C(C=CC=N2)C(=O)OCC(=O)NCC(=O)N)Cl

InChI

InChI=1S/C16H14ClN3O4S/c17-11-5-1-2-6-12(11)25-15-10(4-3-7-19-15)16(23)24-9-14(22)20-8-13(18)21/h1-7H,8-9H2,(H2,18,21)(H,20,22)