[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(2,5-dimethylphenyl)thio]-3-pyridinecarboxylic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(2,5-dimethylphenyl)thio]nicotinic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)OCC(=O)NCC3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)OCC(=O)NCC3=CC=CS3

InChI

InChI=1S/C21H20N2O3S2/c1-14-7-8-15(2)18(11-14)28-20-17(6-3-9-22-20)21(25)26-13-19(24)23-12-16-5-4-10-27-16/h3-11H,12-13H2,1-2H3,(H,23,24)