ethyl 4-methyl-2-[3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enoylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-[3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enoylamino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]prop-2-enoylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 4-methyl-2-[[1-oxo-3-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]prop-2-enyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]acryloyl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C25H23N5O3S MolecularWeight: 473.54682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)C=CC2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)C=CC2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4)C

InChI

InChI=1S/C25H23N5O3S/c1-3-33-24(32)23-17(2)27-25(34-23)28-21(31)12-11-20-16-30(15-18-8-5-4-6-9-18)29-22(20)19-10-7-13-26-14-19/h4-14,16H,3,15H2,1-2H3,(H,27,28,31)