ethyl 3-[2-azanylidene-4-(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)-1,3-thiazol-3-yl]-2-cyano-3-phenyl-propanoate

Systemtic Name: ethyl 3-[2-azanylidene-4-(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)-1,3-thiazol-3-yl]-2-cyano-3-phenyl-propanoate Openeye Name: ethyl 2-cyano-3-[2-imino-4-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)thiazol-3-yl]-3-phenyl-propanoate CAS Name: 2-cyano-3-[2-imino-4-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-3-thiazolyl]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-cyano-3-[2-imino-4-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-1,3-thiazol-3-yl]-3-phenylpropanoate Traditional Name: 2-cyano-3-[2-imino-4-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)-4-thiazolin-3-yl]-3-phenyl-propionic acid ethyl ester Formula: C25H23N5O3S MolecularWeight: 473.54682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C(C1=CC=CC=C1)N2C(=CSC2=N)C3C(=NN(C3=O)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C(C#N)C(C1=CC=CC=C1)N2C(=CSC2=N)C3C(=NN(C3=O)C4=CC=CC=C4)C

InChI

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