[3-[2-(3,4-dihydro-1H-isochromen-3-yl)ethyl]-4-oxidanylidene-thiochromen-7-yl] sulfamate

Systemtic Name: [3-[2-(3,4-dihydro-1H-isochromen-3-yl)ethyl]-4-oxidanylidene-thiochromen-7-yl] sulfamate Openeye Name: [3-(2-isochroman-3-ylethyl)-4-oxo-thiochromen-7-yl] sulfamate CAS Name: sulfamic acid [3-[2-(3,4-dihydro-1H-2-benzopyran-3-yl)ethyl]-4-oxo-1-benzothiopyran-7-yl] ester IUPAC Name: [3-[2-(3,4-dihydro-1H-isochromen-3-yl)ethyl]-4-oxothiochromen-7-yl] sulfamate Traditional Name: sulfamic acid [3-(2-isochroman-3-ylethyl)-4-keto-thiochromen-7-yl] ester Formula: C20H19NO5S2 MolecularWeight: 417.49856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OCC2=CC=CC=C21)CCC3=CSC4=C(C3=O)C=CC(=C4)OS(=O)(=O)N

Isomeric SMILES

C1C(OCC2=CC=CC=C21)CCC3=CSC4=C(C3=O)C=CC(=C4)OS(=O)(=O)N

InChI

InChI=1S/C20H19NO5S2/c21-28(23,24)26-17-7-8-18-19(10-17)27-12-15(20(18)22)5-6-16-9-13-3-1-2-4-14(13)11-25-16/h1-4,7-8,10,12,16H,5-6,9,11H2,(H2,21,23,24)