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

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(3,4-dimethylphenyl)thio]-3-pyridinecarboxylic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(3,4-dimethylphenyl)thio]nicotinic acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)COC(=O)C1=C(N=CC=C1)SC2=CC(=C(C=C2)C)C

Isomeric SMILES

CCCNC(=O)NC(=O)COC(=O)C1=C(N=CC=C1)SC2=CC(=C(C=C2)C)C

InChI

InChI=1S/C20H23N3O4S/c1-4-9-22-20(26)23-17(24)12-27-19(25)16-6-5-10-21-18(16)28-15-8-7-13(2)14(3)11-15/h5-8,10-11H,4,9,12H2,1-3H3,(H2,22,23,24,26)