ethyl 2-[3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoylamino]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoylamino]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enoylamino]thiazole-4-carboxylate CAS Name: 2-[[1-oxo-3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)prop-2-enyl]amino]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoylamino]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]acryloyl]amino]thiazole-4-carboxylic acid ethyl ester Formula: C22H18N4O3S2 MolecularWeight: 450.53332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)NC(=O)C=CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)NC(=O)C=CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C22H18N4O3S2/c1-2-29-21(28)17-14-31-22(23-17)24-19(27)11-10-15-13-26(16-7-4-3-5-8-16)25-20(15)18-9-6-12-30-18/h3-14H,2H2,1H3,(H,23,24,27)