(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 3-(thiophen-2-ylcarbonylamino)propanoate

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 3-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl 3-(thiophene-2-carbonylamino)propanoate CAS Name: 3-[[oxo(thiophen-2-yl)methyl]amino]propanoic acid (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 3-(thiophene-2-carbonylamino)propanoate Traditional Name: 3-(2-thenoylamino)propionic acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C19H18ClN3O3S MolecularWeight: 403.88252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1COC(=O)CCNC(=O)C2=CC=CS2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1COC(=O)CCNC(=O)C2=CC=CS2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C19H18ClN3O3S/c1-13-15(18(20)23(22-13)14-6-3-2-4-7-14)12-26-17(24)9-10-21-19(25)16-8-5-11-27-16/h2-8,11H,9-10,12H2,1H3,(H,21,25)