ethyl 2-[(6-pentoxypyridin-3-yl)carbamothioylcarbamoyl]-4,5,6,7-tetrahydro-1-benzofuran-5-carboxylate

Systemtic Name: ethyl 2-[(6-pentoxypyridin-3-yl)carbamothioylcarbamoyl]-4,5,6,7-tetrahydro-1-benzofuran-5-carboxylate Openeye Name: ethyl 2-[(6-pentoxy-3-pyridyl)carbamothioylcarbamoyl]-4,5,6,7-tetrahydrobenzofuran-5-carboxylate CAS Name: 2-[oxo-[[[(6-pentoxy-3-pyridinyl)amino]-sulfanylidenemethyl]amino]methyl]-4,5,6,7-tetrahydrobenzofuran-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(6-pentoxypyridin-3-yl)carbamothioylcarbamoyl]-4,5,6,7-tetrahydro-1-benzofuran-5-carboxylate Traditional Name: 2-[(6-amoxy-3-pyridyl)thiocarbamoylcarbamoyl]-4,5,6,7-tetrahydrobenzofuran-5-carboxylic acid ethyl ester Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=NC=C(C=C1)NC(=S)NC(=O)C2=CC3=C(O2)CCC(C3)C(=O)OCC

Isomeric SMILES

CCCCCOC1=NC=C(C=C1)NC(=S)NC(=O)C2=CC3=C(O2)CCC(C3)C(=O)OCC

InChI

InChI=1S/C23H29N3O5S/c1-3-5-6-11-30-20-10-8-17(14-24-20)25-23(32)26-21(27)19-13-16-12-15(22(28)29-4-2)7-9-18(16)31-19/h8,10,13-15H,3-7,9,11-12H2,1-2H3,(H2,25,26,27,32)