methanethioyl (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: methanethioyl (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: methanethioyl (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-hexenoic acid methanethioyl ester IUPAC Name: methanethioyl (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-enoic acid thioformyl ester Formula: C23H25ClN2O7S2 MolecularWeight: 541.0368

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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)OC=S)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)OC=S)S(=O)(=O)C)\Cl)C#C

InChI

InChI=1S/C23H25ClN2O7S2/c1-7-14-12(2)16-10-32-21(27)18(16)19(25-23(29)26(4)5)15(14)8-9-17(24)13(3)20(35(6,30)31)22(28)33-11-34/h1,9,11,13,20H,8,10H2,2-6H3,(H,25,29)/b17-9-