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

Systemtic Name: ethyl 2-[(4-methyl-2-oxidanyl-phenyl)methylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-hydroxy-4-methyl-phenyl)methylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[(2-hydroxy-4-methylphenyl)methylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-hydroxy-4-methylphenyl)methylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[(2-hydroxy-4-methyl-benzyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C20H25NO3S MolecularWeight: 359.4824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO3S/c1-3-24-20(23)18-15-7-5-4-6-8-17(15)25-19(18)21-12-14-10-9-13(2)11-16(14)22/h9-11,21-22H,3-8,12H2,1-2H3