methyl 3-[4-[(3E)-3-(2-chloranylthioxanthen-9-ylidene)propyl]piperazin-1-yl]propanoate

Systemtic Name: methyl 3-[4-[(3E)-3-(2-chloranylthioxanthen-9-ylidene)propyl]piperazin-1-yl]propanoate Openeye Name: methyl 3-[4-[(3E)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]propanoate CAS Name: 3-[4-[(3E)-3-(2-chloro-9-thioxanthenylidene)propyl]-1-piperazinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[(3E)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]propanoate Traditional Name: 3-[4-[(3E)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazino]propionic acid methyl ester Formula: C24H27ClN2O2S MolecularWeight: 443.00138

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl

Isomeric SMILES

COC(=O)CCN1CCN(CC1)CC/C=C/2\C3=CC=CC=C3SC4=C2C=C(C=C4)Cl

InChI

InChI=1S/C24H27ClN2O2S/c1-29-24(28)10-12-27-15-13-26(14-16-27)11-4-6-19-20-5-2-3-7-22(20)30-23-9-8-18(25)17-21(19)23/h2-3,5-9,17H,4,10-16H2,1H3/b19-6+