[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate CAS Name: 3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-propenoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate Traditional Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acrylic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C20H17BrN2O3S MolecularWeight: 445.32958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=CC(=O)OCC(=O)C3=CC=C(S3)Br

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C=CC(=O)OCC(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C20H17BrN2O3S/c1-13-16(14(2)23(22-13)15-6-4-3-5-7-15)8-11-20(25)26-12-17(24)18-9-10-19(21)27-18/h3-11H,12H2,1-2H3