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

Systemtic Name: ethyl 4-oxidanylidene-4-[4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]butanoate Openeye Name: ethyl 4-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-4-oxo-butanoate CAS Name: 4-oxo-4-[4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1-piperazinyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-4-oxobutanoate Traditional Name: 4-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazino]-4-keto-butyric acid ethyl ester Formula: C19H24N4O3S MolecularWeight: 388.48386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N1CCN(CC1)C2=NC(=NS2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCC(=O)N1CCN(CC1)C2=NC(=NS2)CC3=CC=CC=C3

InChI

InChI=1S/C19H24N4O3S/c1-2-26-18(25)9-8-17(24)22-10-12-23(13-11-22)19-20-16(21-27-19)14-15-6-4-3-5-7-15/h3-7H,2,8-14H2,1H3