tert-butyl 5-(4-methoxycarbonylphenyl)-1-benzothiophene-2-carboxylate

Systemtic Name: tert-butyl 5-(4-methoxycarbonylphenyl)-1-benzothiophene-2-carboxylate Openeye Name: tert-butyl 5-(4-methoxycarbonylphenyl)benzothiophene-2-carboxylate CAS Name: 5-(4-methoxycarbonylphenyl)-1-benzothiophene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(4-methoxycarbonylphenyl)-1-benzothiophene-2-carboxylate Traditional Name: 5-(4-carbomethoxyphenyl)benzothiophene-2-carboxylic acid tert-butyl ester Formula: C21H20O4S MolecularWeight: 368.4461

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC2=C(S1)C=CC(=C2)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC2=C(S1)C=CC(=C2)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H20O4S/c1-21(2,3)25-20(23)18-12-16-11-15(9-10-17(16)26-18)13-5-7-14(8-6-13)19(22)24-4/h5-12H,1-4H3