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

Systemtic Name: propan-2-yl 2-(pyridin-3-ylcarbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: isopropyl 2-(pyridine-3-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[oxo(3-pyridinyl)methyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(pyridine-3-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-nicotinamido-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid isopropyl ester Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CN=CC=C3

Isomeric SMILES

CC(C)OC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CN=CC=C3

InChI

InChI=1S/C19H22N2O3S/c1-12(2)24-19(23)16-14-8-4-3-5-9-15(14)25-18(16)21-17(22)13-7-6-10-20-11-13/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,21,22)