methyl 5-tert-butyl-3-[(4-chlorophenyl)sulfonylmethyl]thiophene-2-carboxylate

Systemtic Name: methyl 5-tert-butyl-3-[(4-chlorophenyl)sulfonylmethyl]thiophene-2-carboxylate Openeye Name: methyl 5-tert-butyl-3-[(4-chlorophenyl)sulfonylmethyl]thiophene-2-carboxylate CAS Name: 5-tert-butyl-3-[(4-chlorophenyl)sulfonylmethyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-tert-butyl-3-[(4-chlorophenyl)sulfonylmethyl]thiophene-2-carboxylate Traditional Name: 5-tert-butyl-3-[(4-chlorophenyl)sulfonylmethyl]thiophene-2-carboxylic acid methyl ester Formula: C17H19ClO4S2 MolecularWeight: 386.91336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(S1)C(=O)OC)CS(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)C1=CC(=C(S1)C(=O)OC)CS(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H19ClO4S2/c1-17(2,3)14-9-11(15(23-14)16(19)22-4)10-24(20,21)13-7-5-12(18)6-8-13/h5-9H,10H2,1-4H3