methyl 4-[4-(2-thiophen-2-ylcyclopropyl)carbonylpiperazin-1-yl]carbonylbenzoate

Systemtic Name: methyl 4-[4-(2-thiophen-2-ylcyclopropyl)carbonylpiperazin-1-yl]carbonylbenzoate Openeye Name: methyl 4-[4-[2-(2-thienyl)cyclopropanecarbonyl]piperazine-1-carbonyl]benzoate CAS Name: 4-[oxo-[4-[oxo-(2-thiophen-2-ylcyclopropyl)methyl]-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(2-thiophen-2-ylcyclopropanecarbonyl)piperazine-1-carbonyl]benzoate Traditional Name: 4-[4-[2-(2-thienyl)cyclopropanecarbonyl]piperazine-1-carbonyl]benzoic acid methyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3CC3C4=CC=CS4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3CC3C4=CC=CS4

InChI

InChI=1S/C21H22N2O4S/c1-27-21(26)15-6-4-14(5-7-15)19(24)22-8-10-23(11-9-22)20(25)17-13-16(17)18-3-2-12-28-18/h2-7,12,16-17H,8-11,13H2,1H3