(4-pyrrolidin-1-ylcarbonylphenyl)methyl 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate CAS Name: 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate Traditional Name: 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2)C(=O)OCC3=CC=C(C=C3)C(=O)N4CCCC4

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2)C(=O)OCC3=CC=C(C=C3)C(=O)N4CCCC4

InChI

InChI=1S/C22H25NO3S/c24-21(23-12-4-5-13-23)17-10-8-16(9-11-17)15-26-22(25)20-14-18-6-2-1-3-7-19(18)27-20/h8-11,14H,1-7,12-13,15H2