ethyl 4-[2-methyl-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[2-methyl-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)-2-methyl-piperazin-1-yl]-4-oxo-butanoate CAS Name: 4-[2-methyl-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1-piperazinyl]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)-2-methylpiperazin-1-yl]-4-oxobutanoate Traditional Name: 4-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)-2-methyl-piperazino]-4-keto-butyric acid ethyl ester Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N1CCN(CC1C)C2=NC(=NS2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCC(=O)N1CCN(CC1C)C2=NC(=NS2)CC3=CC=CC=C3

InChI

InChI=1S/C20H26N4O3S/c1-3-27-19(26)10-9-18(25)24-12-11-23(14-15(24)2)20-21-17(22-28-20)13-16-7-5-4-6-8-16/h4-8,15H,3,9-14H2,1-2H3