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

Systemtic Name: ethyl 2-[(2-acetyloxy-4-methyl-phenyl)methylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-acetoxy-4-methyl-phenyl)methylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[(2-acetyloxy-4-methylphenyl)methylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-acetyloxy-4-methylphenyl)methylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[(2-acetoxy-4-methyl-benzyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO4S/c1-4-26-22(25)20-17-8-6-5-7-9-19(17)28-21(20)23-13-16-11-10-14(2)12-18(16)27-15(3)24/h10-12,23H,4-9,13H2,1-3H3