[2-(cyclopropylamino)-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)sulfanylpyridine-3-carboxylate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)sulfanylpyridine-3-carboxylate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] 2-(4-chlorophenyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(4-chlorophenyl)thio]-3-pyridinecarboxylic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(4-chlorophenyl)thio]nicotinic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C17H15ClN2O3S MolecularWeight: 362.8306

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CC1NC(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H15ClN2O3S/c18-11-3-7-13(8-4-11)24-16-14(2-1-9-19-16)17(22)23-10-15(21)20-12-5-6-12/h1-4,7-9,12H,5-6,10H2,(H,20,21)