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

Systemtic Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(pyridin-3-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-(2-thienyl)oxazol-4-yl]methyl 2-(pyridine-3-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[oxo(3-pyridinyl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid (2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(pyridine-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-nicotinamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C23H19N3O4S2 MolecularWeight: 465.54466

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CN=CC=C3)C(=O)OCC4=COC(=N4)C5=CC=CS5

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CN=CC=C3)C(=O)OCC4=COC(=N4)C5=CC=CS5

InChI

InChI=1S/C23H19N3O4S2/c27-20(14-5-3-9-24-11-14)26-22-19(16-6-1-2-7-17(16)32-22)23(28)30-13-15-12-29-21(25-15)18-8-4-10-31-18/h3-5,8-12H,1-2,6-7,13H2,(H,26,27)