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

Systemtic Name: (2-phenyl-1,3-oxazol-4-yl)methyl 2-(pyridin-3-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (2-phenyloxazol-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-phenyl-4-oxazolyl)methyl ester IUPAC Name: (2-phenyl-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-phenyloxazol-4-yl)methyl ester Formula: C25H21N3O4S MolecularWeight: 459.51694

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C25H21N3O4S/c29-22(17-9-6-12-26-13-17)28-24-21(19-10-4-5-11-20(19)33-24)25(30)32-15-18-14-31-23(27-18)16-7-2-1-3-8-16/h1-3,6-9,12-14H,4-5,10-11,15H2,(H,28,29)