ethyl 2-(2,2-dimethylpropanoylcarbamothioylamino)-4-(3-nitrophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-(2,2-dimethylpropanoylcarbamothioylamino)-4-(3-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-(2,2-dimethylpropanoylcarbamothioylamino)-4-(3-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[[(2,2-dimethyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2,2-dimethylpropanoylcarbamothioylamino)-4-(3-nitrophenyl)thiophene-3-carboxylate Traditional Name: 4-(3-nitrophenyl)-2-(pivaloylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C19H21N3O5S2 MolecularWeight: 435.51714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=S)NC(=O)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=S)NC(=O)C(C)(C)C

InChI

InChI=1S/C19H21N3O5S2/c1-5-27-16(23)14-13(11-7-6-8-12(9-11)22(25)26)10-29-15(14)20-18(28)21-17(24)19(2,3)4/h6-10H,5H2,1-4H3,(H2,20,21,24,28)