ethyl 2-(furan-2-ylcarbonylcarbamothioylamino)-4-(3-nitrophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-(furan-2-ylcarbonylcarbamothioylamino)-4-(3-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-(furan-2-carbonylcarbamothioylamino)-4-(3-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[[[2-furanyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(furan-2-carbonylcarbamothioylamino)-4-(3-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-(2-furoylthiocarbamoylamino)-4-(3-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C19H15N3O6S2 MolecularWeight: 445.4689

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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)C3=CC=CO3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=S)NC(=O)C3=CC=CO3

InChI

InChI=1S/C19H15N3O6S2/c1-2-27-18(24)15-13(11-5-3-6-12(9-11)22(25)26)10-30-17(15)21-19(29)20-16(23)14-7-4-8-28-14/h3-10H,2H2,1H3,(H2,20,21,23,29)