tert-butyl 5-(phenylmethoxycarbonylamino)-1-benzothiophene-2-carboxylate

Systemtic Name: tert-butyl 5-(phenylmethoxycarbonylamino)-1-benzothiophene-2-carboxylate Openeye Name: tert-butyl 5-(benzyloxycarbonylamino)benzothiophene-2-carboxylate CAS Name: 5-(phenylmethoxycarbonylamino)-1-benzothiophene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(phenylmethoxycarbonylamino)-1-benzothiophene-2-carboxylate Traditional Name: 5-(benzyloxycarbonylamino)benzothiophene-2-carboxylic acid tert-butyl ester Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H21NO4S/c1-21(2,3)26-19(23)18-12-15-11-16(9-10-17(15)27-18)22-20(24)25-13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H,22,24)