methyl 3-[3,5-dimethyl-1-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]pyrazol-4-yl]propanoate

Systemtic Name: methyl 3-[3,5-dimethyl-1-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]pyrazol-4-yl]propanoate Openeye Name: methyl 3-[3,5-dimethyl-1-[4-(thiazol-2-ylcarbamoyl)phenyl]pyrazol-4-yl]propanoate CAS Name: 3-[3,5-dimethyl-1-[4-[oxo-(2-thiazolylamino)methyl]phenyl]-4-pyrazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3,5-dimethyl-1-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]pyrazol-4-yl]propanoate Traditional Name: 3-[3,5-dimethyl-1-[4-(thiazol-2-ylcarbamoyl)phenyl]pyrazol-4-yl]propionic acid methyl ester Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NC3=NC=CS3)C)CCC(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NC3=NC=CS3)C)CCC(=O)OC

InChI

InChI=1S/C19H20N4O3S/c1-12-16(8-9-17(24)26-3)13(2)23(22-12)15-6-4-14(5-7-15)18(25)21-19-20-10-11-27-19/h4-7,10-11H,8-9H2,1-3H3,(H,20,21,25)