sodium 5-phenyl-3-[(phenylmethyl)amino]thiophene-2-carboxylate

Systemtic Name: sodium 5-phenyl-3-[(phenylmethyl)amino]thiophene-2-carboxylate Openeye Name: sodium 3-(benzylamino)-5-phenyl-thiophene-2-carboxylate CAS Name: sodium 5-phenyl-3-[(phenylmethyl)amino]-2-thiophenecarboxylate IUPAC Name: sodium 3-(benzylamino)-5-phenylthiophene-2-carboxylate Traditional Name: sodium 3-(benzylamino)-5-phenyl-2-thenoate Formula: C18H14NNaO2S MolecularWeight: 331.36403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(SC(=C2)C3=CC=CC=C3)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(SC(=C2)C3=CC=CC=C3)C(=O)[O-].[Na+]

InChI

InChI=1S/C18H15NO2S.Na/c20-18(21)17-15(19-12-13-7-3-1-4-8-13)11-16(22-17)14-9-5-2-6-10-14;/h1-11,19H,12H2,(H,20,21);/q;+1/p-1