2-(4-methylphenyl)sulfonylethyl 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: 2-(4-methylphenyl)sulfonylethyl 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: 2-(p-tolylsulfonyl)ethyl 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid 2-(4-methylphenyl)sulfonylethyl ester IUPAC Name: 2-(4-methylphenyl)sulfonylethyl 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid 2-tosylethyl ester Formula: C18H15ClO4S2 MolecularWeight: 394.8923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCOC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCOC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C18H15ClO4S2/c1-12-6-8-13(9-7-12)25(21,22)11-10-23-18(20)17-16(19)14-4-2-3-5-15(14)24-17/h2-9H,10-11H2,1H3