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

Systemtic Name: ethyl 2-[(5-bromanyl-2-oxidanyl-phenyl)methylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[(5-bromo-2-hydroxy-phenyl)methylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[(5-bromo-2-hydroxyphenyl)methylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-bromo-2-hydroxyphenyl)methylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[(5-bromo-2-hydroxy-benzyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C19H22BrNO3S MolecularWeight: 424.35188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrNO3S/c1-2-24-19(23)17-14-6-4-3-5-7-16(14)25-18(17)21-11-12-10-13(20)8-9-15(12)22/h8-10,21-22H,2-7,11H2,1H3