2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: 2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: 2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: 2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C13H12NO2S- MolecularWeight: 246.30488

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N3C=CC=C3)C(=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)N3C=CC=C3)C(=O)[O-]

InChI

InChI=1S/C13H13NO2S/c15-13(16)11-9-5-1-2-6-10(9)17-12(11)14-7-3-4-8-14/h3-4,7-8H,1-2,5-6H2,(H,15,16)/p-1