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

Systemtic Name: (Z)-4-chloranyl-6-[4-(dimethylcarbamoylamino)-6-methoxy-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl]-3-methyl-2-methylsulfonyl-hex-4-enoic acid Openeye Name: (Z)-4-chloro-6-[4-(dimethylcarbamoylamino)-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl]-3-methyl-2-methylsulfonyl-hex-4-enoic acid CAS Name: (Z)-4-chloro-6-[4-[[dimethylamino(oxo)methyl]amino]-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl]-3-methyl-2-methylsulfonyl-4-hexenoic acid IUPAC Name: (Z)-4-chloro-6-[4-(dimethylcarbamoylamino)-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl]-3-methyl-2-methylsulfonylhex-4-enoic acid Traditional Name: (Z)-4-chloro-6-[4-(dimethylcarbamoylamino)-3-keto-6-methoxy-7-methyl-phthalan-5-yl]-2-mesyl-3-methyl-hex-4-enoic acid Formula: C21H27ClN2O8S MolecularWeight: 502.96568

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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)OC

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)OC

InChI

InChI=1S/C21H27ClN2O8S/c1-10-13-9-32-20(27)15(13)16(23-21(28)24(3)4)12(17(10)31-5)7-8-14(22)11(2)18(19(25)26)33(6,29)30/h8,11,18H,7,9H2,1-6H3,(H,23,28)(H,25,26)/b14-8-