tert-butyl N-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]carbamate; ethyl thiophene-2-carboxylate

Systemtic Name: tert-butyl N-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]carbamate; ethyl thiophene-2-carboxylate Openeye Name: tert-butyl N-[(2-benzyloxy-5-bromo-phenyl)methyl]carbamate; ethyl thiophene-2-carboxylate CAS Name: N-[(5-bromo-2-phenylmethoxyphenyl)methyl]carbamic acid tert-butyl ester; 2-thiophenecarboxylic acid ethyl ester IUPAC Name: tert-butyl N-[(5-bromo-2-phenylmethoxyphenyl)methyl]carbamate; ethyl thiophene-2-carboxylate Traditional Name: N-(2-benzoxy-5-bromo-benzyl)carbamic acid tert-butyl ester; thiophene-2-carboxylic acid ethyl ester Formula: C26H30BrNO5S MolecularWeight: 548.4891

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CS1.CC(C)(C)OC(=O)NCC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CC=CS1.CC(C)(C)OC(=O)NCC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2

InChI

InChI=1S/C19H22BrNO3.C7H8O2S/c1-19(2,3)24-18(22)21-12-15-11-16(20)9-10-17(15)23-13-14-7-5-4-6-8-14;1-2-9-7(8)6-4-3-5-10-6/h4-11H,12-13H2,1-3H3,(H,21,22);3-5H,2H2,1H3