methyl 3-[2-chloranyl-4-[3-(4-ethanoylpiperazin-1-yl)-3-oxidanylidene-prop-1-en-2-yl]phenyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-chloranyl-4-[3-(4-ethanoylpiperazin-1-yl)-3-oxidanylidene-prop-1-en-2-yl]phenyl]sulfanylpropanoate Openeye Name: methyl 3-[4-[1-(4-acetylpiperazine-1-carbonyl)vinyl]-2-chloro-phenyl]sulfanylpropanoate CAS Name: 3-[[4-[3-(4-acetyl-1-piperazinyl)-3-oxoprop-1-en-2-yl]-2-chlorophenyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[3-(4-acetylpiperazin-1-yl)-3-oxoprop-1-en-2-yl]-2-chlorophenyl]sulfanylpropanoate Traditional Name: 3-[[4-[1-(4-acetylpiperazine-1-carbonyl)vinyl]-2-chloro-phenyl]thio]propionic acid methyl ester Formula: C19H23ClN2O4S MolecularWeight: 410.91492

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)SCCC(=O)OC)Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)SCCC(=O)OC)Cl

InChI

InChI=1S/C19H23ClN2O4S/c1-13(19(25)22-9-7-21(8-10-22)14(2)23)15-4-5-17(16(20)12-15)27-11-6-18(24)26-3/h4-5,12H,1,6-11H2,2-3H3