[1-(2-methoxybut-3-enyl)-1H-isothiochromen-3-yl]-phenyl-methanone

Systemtic Name: [1-(2-methoxybut-3-enyl)-1H-isothiochromen-3-yl]-phenyl-methanone Openeye Name: [1-(2-methoxybut-3-enyl)-1H-isothiochromen-3-yl]-phenyl-methanone CAS Name: [1-(2-methoxybut-3-enyl)-1H-2-benzothiopyran-3-yl]-phenylmethanone IUPAC Name: [1-(2-methoxybut-3-enyl)-1H-isothiochromen-3-yl]-phenylmethanone Traditional Name: [1-(2-methoxybut-3-enyl)-1H-isothiochromen-3-yl]-phenyl-methanone Formula: C21H20O2S MolecularWeight: 336.4473

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(CC1C2=CC=CC=C2C=C(S1)C(=O)C3=CC=CC=C3)C=C

Isomeric SMILES

COC(CC1C2=CC=CC=C2C=C(S1)C(=O)C3=CC=CC=C3)C=C

InChI

InChI=1S/C21H20O2S/c1-3-17(23-2)14-19-18-12-8-7-11-16(18)13-20(24-19)21(22)15-9-5-4-6-10-15/h3-13,17,19H,1,14H2,2H3