2-[2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]carbonylphenyl]ethanoic acid

Systemtic Name: 2-[2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]carbonylphenyl]ethanoic acid Openeye Name: 2-[2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbonyl]phenyl]acetic acid CAS Name: 2-[2-[oxo-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-piperazinyl]methyl]phenyl]acetic acid IUPAC Name: 2-[2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbonyl]phenyl]acetic acid Traditional Name: 2-[2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbonyl]phenyl]acetic acid Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC(=NS2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4CC(=O)O

Isomeric SMILES

C1CN(CCN1C2=NC(=NS2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4CC(=O)O

InChI

InChI=1S/C21H20N4O3S/c26-18(27)14-16-8-4-5-9-17(16)20(28)24-10-12-25(13-11-24)21-22-19(23-29-21)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,26,27)