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

Systemtic Name: ethyl 2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanylpyridine-3-carboxylate Openeye Name: ethyl 2-[2-(benzylamino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(benzylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-(benzylamino)-2-keto-ethyl]thio]nicotinic acid ethyl ester Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=CC=C1)SCC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(N=CC=C1)SCC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C17H18N2O3S/c1-2-22-17(21)14-9-6-10-18-16(14)23-12-15(20)19-11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H,19,20)