ethyl 5-[2-(4-chlorophenyl)-2-(phenylmethyl)piperazin-1-yl]-7-thiabicyclo[4.1.0]hepta-1,3,5-triene-2-carboxylate

Systemtic Name: ethyl 5-[2-(4-chlorophenyl)-2-(phenylmethyl)piperazin-1-yl]-7-thiabicyclo[4.1.0]hepta-1,3,5-triene-2-carboxylate Openeye Name: ethyl 5-[2-benzyl-2-(4-chlorophenyl)piperazin-1-yl]-7-thiabicyclo[4.1.0]hepta-1,3,5-triene-2-carboxylate CAS Name: 5-[2-(4-chlorophenyl)-2-(phenylmethyl)-1-piperazinyl]-7-thiabicyclo[4.1.0]hepta-1,3,5-triene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-benzyl-2-(4-chlorophenyl)piperazin-1-yl]-7-thiabicyclo[4.1.0]hepta-1,3,5-triene-2-carboxylate Traditional Name: 5-[2-benzyl-2-(4-chlorophenyl)piperazino]-7-thiabicyclo[4.1.0]hepta-1,3,5-triene-2-carboxylic acid ethyl ester Formula: C26H25ClN2O2S MolecularWeight: 465.0069

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=C(C=C1)N3CCNCC3(CC4=CC=CC=C4)C5=CC=C(C=C5)Cl)S2

Isomeric SMILES

CCOC(=O)C1=C2C(=C(C=C1)N3CCNCC3(CC4=CC=CC=C4)C5=CC=C(C=C5)Cl)S2

InChI

InChI=1S/C26H25ClN2O2S/c1-2-31-25(30)21-12-13-22(24-23(21)32-24)29-15-14-28-17-26(29,16-18-6-4-3-5-7-18)19-8-10-20(27)11-9-19/h3-13,28H,2,14-17H2,1H3