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

Systemtic Name: phenyl 3'-methylspiro[1,3-dithiolane-2,4'-6,7-dihydro-5H-1-benzofuran]-2'-carboxylate Openeye Name: phenyl 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 phenyl ester IUPAC Name: phenyl 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 phenyl ester Formula: C18H18O3S2 MolecularWeight: 346.46372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18O3S2/c1-12-15-14(8-5-9-18(15)22-10-11-23-18)21-16(12)17(19)20-13-6-3-2-4-7-13/h2-4,6-7H,5,8-11H2,1H3