sodium 2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: sodium 2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: sodium 2-benzamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: sodium 2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: sodium 2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: sodium 2-benzamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C16H14NNaO3S MolecularWeight: 323.34203

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3)C(=O)[O-].[Na+]

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3)C(=O)[O-].[Na+]

InChI

InChI=1S/C16H15NO3S.Na/c18-14(10-6-2-1-3-7-10)17-15-13(16(19)20)11-8-4-5-9-12(11)21-15;/h1-3,6-7H,4-5,8-9H2,(H,17,18)(H,19,20);/q;+1/p-1