ethyl 2-(2-methylpropanoylcarbamothioylamino)-4-(3-nitrophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-(2-methylpropanoylcarbamothioylamino)-4-(3-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-(2-methylpropanoylcarbamothioylamino)-4-(3-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-methylpropanoylcarbamothioylamino)-4-(3-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-(isobutyrylthiocarbamoylamino)-4-(3-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C18H19N3O5S2 MolecularWeight: 421.49056

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O5S2/c1-4-26-17(23)14-13(11-6-5-7-12(8-11)21(24)25)9-28-16(14)20-18(27)19-15(22)10(2)3/h5-10H,4H2,1-3H3,(H2,19,20,22,27)