[2-(dimethylamino)-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate Openeye Name: [2-(dimethylamino)-2-oxo-ethyl] 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(3,4-dimethylphenyl)thio]-3-pyridinecarboxylic acid [2-(dimethylamino)-2-oxoethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(3,4-dimethylphenyl)thio]nicotinic acid [2-(dimethylamino)-2-keto-ethyl] ester Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)OCC(=O)N(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)OCC(=O)N(C)C)C

InChI

InChI=1S/C18H20N2O3S/c1-12-7-8-14(10-13(12)2)24-17-15(6-5-9-19-17)18(22)23-11-16(21)20(3)4/h5-10H,11H2,1-4H3