pyridin-3-yl 3'-methylspiro[1,3-dithiolane-2,4'-6,7-dihydro-5H-1-benzofuran]-2'-carboxylate

Systemtic Name: pyridin-3-yl 3'-methylspiro[1,3-dithiolane-2,4'-6,7-dihydro-5H-1-benzofuran]-2'-carboxylate Openeye Name: 3-pyridyl 3'-methylspiro[1,3-dithiolane-2,4'-6,7-dihydro-5H-benzofuran]-2'-carboxylate CAS Name: 3'-methyl-2'-spiro[1,3-dithiolane-2,4'-6,7-dihydro-5H-benzofuran]carboxylic acid 3-pyridinyl ester IUPAC Name: pyridin-3-yl 3'-methylspiro[1,3-dithiolane-2,4'-6,7-dihydro-5H-1-benzofuran]-2'-carboxylate Traditional Name: 3'-methylspiro[1,3-dithiolane-2,4'-6,7-dihydro-5H-benzofuran]-2'-carboxylic acid 3-pyridyl ester Formula: C17H17NO3S2 MolecularWeight: 347.45178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C3(CCC2)SCCS3)C(=O)OC4=CN=CC=C4

Isomeric SMILES

CC1=C(OC2=C1C3(CCC2)SCCS3)C(=O)OC4=CN=CC=C4

InChI

InChI=1S/C17H17NO3S2/c1-11-14-13(5-2-6-17(14)22-8-9-23-17)21-15(11)16(19)20-12-4-3-7-18-10-12/h3-4,7,10H,2,5-6,8-9H2,1H3