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

Systemtic Name: methyl 5-tert-butyl-3-[(4-methylphenyl)sulfonylmethyl]thiophene-2-carboxylate Openeye Name: methyl 5-tert-butyl-3-(p-tolylsulfonylmethyl)thiophene-2-carboxylate CAS Name: 5-tert-butyl-3-[(4-methylphenyl)sulfonylmethyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-tert-butyl-3-[(4-methylphenyl)sulfonylmethyl]thiophene-2-carboxylate Traditional Name: 5-tert-butyl-3-(tosylmethyl)thiophene-2-carboxylic acid methyl ester Formula: C18H22O4S2 MolecularWeight: 366.49488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(SC(=C2)C(C)(C)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(SC(=C2)C(C)(C)C)C(=O)OC

InChI

InChI=1S/C18H22O4S2/c1-12-6-8-14(9-7-12)24(20,21)11-13-10-15(18(2,3)4)23-16(13)17(19)22-5/h6-10H,11H2,1-5H3