sodium 5-phenyl-3-(propan-2-ylamino)thiophene-2-carboxylate

Systemtic Name: sodium 5-phenyl-3-(propan-2-ylamino)thiophene-2-carboxylate Openeye Name: sodium 3-(isopropylamino)-5-phenyl-thiophene-2-carboxylate CAS Name: sodium 5-phenyl-3-(propan-2-ylamino)-2-thiophenecarboxylate IUPAC Name: sodium 5-phenyl-3-(propan-2-ylamino)thiophene-2-carboxylate Traditional Name: sodium 3-(isopropylamino)-5-phenyl-2-thenoate Formula: C14H14NNaO2S MolecularWeight: 283.32123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(SC(=C1)C2=CC=CC=C2)C(=O)[O-].[Na+]

Isomeric SMILES

CC(C)NC1=C(SC(=C1)C2=CC=CC=C2)C(=O)[O-].[Na+]

InChI

InChI=1S/C14H15NO2S.Na/c1-9(2)15-11-8-12(18-13(11)14(16)17)10-6-4-3-5-7-10;/h3-9,15H,1-2H3,(H,16,17);/q;+1/p-1