(Z)-4-chloranyl-6-[4-(dimethylcarbamoylamino)-6-ethynyl-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl]-3-methyl-2-methylsulfonyl-hex-4-enoate

Systemtic Name: (Z)-4-chloranyl-6-[4-(dimethylcarbamoylamino)-6-ethynyl-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl]-3-methyl-2-methylsulfonyl-hex-4-enoate Openeye Name: (Z)-4-chloro-6-[4-(dimethylcarbamoylamino)-6-ethynyl-7-methyl-3-oxo-1H-isobenzofuran-5-yl]-3-methyl-2-methylsulfonyl-hex-4-enoate CAS Name: (Z)-4-chloro-6-[4-[[dimethylamino(oxo)methyl]amino]-6-ethynyl-7-methyl-3-oxo-1H-isobenzofuran-5-yl]-3-methyl-2-methylsulfonyl-4-hexenoate IUPAC Name: (Z)-4-chloro-6-[4-(dimethylcarbamoylamino)-6-ethynyl-7-methyl-3-oxo-1H-2-benzofuran-5-yl]-3-methyl-2-methylsulfonylhex-4-enoate Traditional Name: (Z)-4-chloro-6-[4-(dimethylcarbamoylamino)-6-ethynyl-3-keto-7-methyl-phthalan-5-yl]-2-mesyl-3-methyl-hex-4-enoate Formula: C22H24ClN2O7S- MolecularWeight: 495.95316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1COC2=O)NC(=O)N(C)C)CC=C(C(C)C(C(=O)[O-])S(=O)(=O)C)Cl)C#C

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)NC(=O)N(C)C)C/C=C(/C(C)C(C(=O)[O-])S(=O)(=O)C)\Cl)C#C

InChI

InChI=1S/C22H25ClN2O7S/c1-7-13-11(2)15-10-32-21(28)17(15)18(24-22(29)25(4)5)14(13)8-9-16(23)12(3)19(20(26)27)33(6,30)31/h1,9,12,19H,8,10H2,2-6H3,(H,24,29)(H,26,27)/p-1/b16-9-