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

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(3,4-dimethylphenyl)thio]-3-pyridinecarboxylic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(3,4-dimethylphenyl)thio]nicotinic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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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)NC(=O)NC(C)(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S/c1-13-8-9-15(11-14(13)2)29-18-16(7-6-10-22-18)19(26)28-12-17(25)23-20(27)24-21(3,4)5/h6-11H,12H2,1-5H3,(H2,23,24,25,27)