methyl 2-[3-oxidanylidene-1-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)carbonyl-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[3-oxidanylidene-1-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)carbonyl-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[3-oxo-1-[1-phenyl-3-(2-thienyl)pyrazole-4-carbonyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[oxo-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-oxo-1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[1-phenyl-3-(2-thienyl)pyrazole-4-carbonyl]piperazin-2-yl]acetic acid methyl ester Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCCN1C(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)CC1C(=O)NCCN1C(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O4S/c1-29-18(26)12-16-20(27)22-9-10-24(16)21(28)15-13-25(14-6-3-2-4-7-14)23-19(15)17-8-5-11-30-17/h2-8,11,13,16H,9-10,12H2,1H3,(H,22,27)