methyl 3-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-2-sulfanylidene-1H-imidazole-4-carboxylate

Systemtic Name: methyl 3-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-2-sulfanylidene-1H-imidazole-4-carboxylate Openeye Name: methyl 3-spiro[chromane-2,1'-cyclopentane]-4-yl-2-thioxo-1H-imidazole-4-carboxylate CAS Name: 3-(4-spiro[3,4-dihydro-2H-1-benzopyran-2,1'-cyclopentane]yl)-2-sulfanylidene-1H-imidazole-4-carboxylic acid methyl ester IUPAC Name: methyl 3-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-2-sulfanylidene-1H-imidazole-4-carboxylate Traditional Name: 3-spiro[chroman-2,1'-cyclopentane]-4-yl-2-thioxo-4-imidazoline-4-carboxylic acid methyl ester Formula: C18H20N2O3S MolecularWeight: 344.428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CNC(=S)N1C2CC3(CCCC3)OC4=CC=CC=C24

Isomeric SMILES

COC(=O)C1=CNC(=S)N1C2CC3(CCCC3)OC4=CC=CC=C24

InChI

InChI=1S/C18H20N2O3S/c1-22-16(21)14-11-19-17(24)20(14)13-10-18(8-4-5-9-18)23-15-7-3-2-6-12(13)15/h2-3,6-7,11,13H,4-5,8-10H2,1H3,(H,19,24)