2-(pyridin-4-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: 2-(pyridin-4-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: 2-(pyridine-4-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[oxo(pyridin-4-yl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: 2-(pyridine-4-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-isonicotinamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C15H13N2O3S- MolecularWeight: 301.34032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O3S/c18-13(9-5-7-16-8-6-9)17-14-12(15(19)20)10-3-1-2-4-11(10)21-14/h5-8H,1-4H2,(H,17,18)(H,19,20)/p-1