[2-(furan-2-ylmethylcarbamothioyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] ethanoate

Systemtic Name: [2-(furan-2-ylmethylcarbamothioyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] ethanoate Openeye Name: [2-(2-furylmethylcarbamothioyl)-2,5,7,8-tetramethyl-chroman-6-yl] acetate CAS Name: acetic acid [2-[(2-furanylmethylamino)-sulfanylidenemethyl]-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-yl] ester IUPAC Name: [2-(furan-2-ylmethylcarbamothioyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] acetate Traditional Name: acetic acid [2-(2-furfurylthiocarbamoyl)-2,5,7,8-tetramethyl-chroman-6-yl] ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=C1C)OC(=O)C)C)CCC(O2)(C)C(=S)NCC3=CC=CO3

Isomeric SMILES

CC1=C2C(=C(C(=C1C)OC(=O)C)C)CCC(O2)(C)C(=S)NCC3=CC=CO3

InChI

InChI=1S/C21H25NO4S/c1-12-13(2)19-17(14(3)18(12)25-15(4)23)8-9-21(5,26-19)20(27)22-11-16-7-6-10-24-16/h6-7,10H,8-9,11H2,1-5H3,(H,22,27)