2-(pyridin-4-ylcarbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: 2-(pyridin-4-ylcarbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: 2-(pyridine-4-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[oxo(pyridin-4-yl)methyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate IUPAC Name: 2-(pyridine-4-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-isonicotinamido-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Formula: C16H15N2O3S- MolecularWeight: 315.3669

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C(=O)[O-])NC(=O)C3=CC=NC=C3

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C(=O)[O-])NC(=O)C3=CC=NC=C3

InChI

InChI=1S/C16H16N2O3S/c19-14(10-6-8-17-9-7-10)18-15-13(16(20)21)11-4-2-1-3-5-12(11)22-15/h6-9H,1-5H2,(H,18,19)(H,20,21)/p-1