2-(2-methanoylpyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: 2-(2-methanoylpyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: 2-(2-formylpyrrol-1-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-(2-formyl-1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: 2-(2-formylpyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(2-formylpyrrol-1-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C14H12NO3S- MolecularWeight: 274.31498

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N3C=CC=C3C=O)C(=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)N3C=CC=C3C=O)C(=O)[O-]

InChI

InChI=1S/C14H13NO3S/c16-8-9-4-3-7-15(9)13-12(14(17)18)10-5-1-2-6-11(10)19-13/h3-4,7-8H,1-2,5-6H2,(H,17,18)/p-1