[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 5,6-bis(chloranyl)pyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 5,6-bis(chloranyl)pyridine-3-carboxylate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 5,6-dichloropyridine-3-carboxylate CAS Name: 5,6-dichloro-3-pyridinecarboxylic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 5,6-dichloropyridine-3-carboxylate Traditional Name: 5,6-dichloronicotinic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C17H16Cl2N2O3S MolecularWeight: 399.29154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)C2=CC(=C(N=C2)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)C2=CC(=C(N=C2)Cl)Cl

InChI

InChI=1S/C17H16Cl2N2O3S/c18-14-9-12(10-21-16(14)19)17(23)24-11-15(22)20-7-4-8-25-13-5-2-1-3-6-13/h1-3,5-6,9-10H,4,7-8,11H2,(H,20,22)