ethyl 2-[(2-acetyloxy-5-bromanyl-phenyl)methylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2-acetyloxy-5-bromanyl-phenyl)methylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-acetoxy-5-bromo-phenyl)methylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[(2-acetyloxy-5-bromophenyl)methylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-acetyloxy-5-bromophenyl)methylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[(2-acetoxy-5-bromo-benzyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C21H24BrNO4S MolecularWeight: 466.38856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCC2)NCC3=C(C=CC(=C3)Br)OC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCC2)NCC3=C(C=CC(=C3)Br)OC(=O)C

InChI

InChI=1S/C21H24BrNO4S/c1-3-26-21(25)19-16-7-5-4-6-8-18(16)28-20(19)23-12-14-11-15(22)9-10-17(14)27-13(2)24/h9-11,23H,3-8,12H2,1-2H3