[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] (E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] (E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] (E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(5-chloro-1,3-dimethyl-4-pyrazolyl)-2-propenoic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] (E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)acrylic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C19H22ClN3O3S MolecularWeight: 407.91428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OCC(=O)NCCCSC2=CC=CC=C2)Cl)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OCC(=O)NCCCSC2=CC=CC=C2)Cl)C

InChI

InChI=1S/C19H22ClN3O3S/c1-14-16(19(20)23(2)22-14)9-10-18(25)26-13-17(24)21-11-6-12-27-15-7-4-3-5-8-15/h3-5,7-10H,6,11-13H2,1-2H3,(H,21,24)/b10-9+