methyl 2-[(5-nitrofuran-2-yl)carbonylamino]-5-(1-phenylethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(5-nitrofuran-2-yl)carbonylamino]-5-(1-phenylethyl)thiophene-3-carboxylate Openeye Name: methyl 2-[(5-nitrofuran-2-carbonyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate CAS Name: 2-[[(5-nitro-2-furanyl)-oxomethyl]amino]-5-(1-phenylethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(5-nitrofuran-2-carbonyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate Traditional Name: 2-[(5-nitro-2-furoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylic acid methyl ester Formula: C19H16N2O6S MolecularWeight: 400.40514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C2=CC(=C(S2)NC(=O)C3=CC=C(O3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C1=CC=CC=C1)C2=CC(=C(S2)NC(=O)C3=CC=C(O3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H16N2O6S/c1-11(12-6-4-3-5-7-12)15-10-13(19(23)26-2)18(28-15)20-17(22)14-8-9-16(27-14)21(24)25/h3-11H,1-2H3,(H,20,22)