(3-chloranyl-1-benzothiophen-2-yl)methyl 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)methyl 2-methyl-5-methylsulfonyl-benzoate Openeye Name: (3-chlorobenzothiophen-2-yl)methyl 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid (3-chloro-1-benzothiophen-2-yl)methyl ester IUPAC Name: (3-chloro-1-benzothiophen-2-yl)methyl 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid (3-chlorobenzothiophen-2-yl)methyl ester Formula: C18H15ClO4S2 MolecularWeight: 394.8923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C18H15ClO4S2/c1-11-7-8-12(25(2,21)22)9-14(11)18(20)23-10-16-17(19)13-5-3-4-6-15(13)24-16/h3-9H,10H2,1-2H3