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

Systemtic Name: methyl 3-[2-chloranyl-4-[(E)-3-(4-ethanoylpiperazin-1-yl)-3-oxidanylidene-prop-1-enyl]phenyl]sulfanylpropanoate Openeye Name: methyl 3-[4-[(E)-3-(4-acetylpiperazin-1-yl)-3-oxo-prop-1-enyl]-2-chloro-phenyl]sulfanylpropanoate CAS Name: 3-[[4-[(E)-3-(4-acetyl-1-piperazinyl)-3-oxoprop-1-enyl]-2-chlorophenyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[(E)-3-(4-acetylpiperazin-1-yl)-3-oxoprop-1-enyl]-2-chlorophenyl]sulfanylpropanoate Traditional Name: 3-[[4-[(E)-3-(4-acetylpiperazino)-3-keto-prop-1-enyl]-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=CC2=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/c1-14(23)21-8-10-22(11-9-21)18(24)6-4-15-3-5-17(16(20)13-15)27-12-7-19(25)26-2/h3-6,13H,7-12H2,1-2H3/b6-4+