hexadecyl 4-oxidanylidene-4-[(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)amino]butanoate

Systemtic Name: hexadecyl 4-oxidanylidene-4-[(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)amino]butanoate Openeye Name: hexadecyl 4-[(5-isopropylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[5-(propan-2-ylthio)-1,3,4-thiadiazol-2-yl]amino]butanoic acid hexadecyl ester IUPAC Name: hexadecyl 4-oxo-4-[(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)amino]butanoate Traditional Name: 4-[[5-(isopropylthio)-1,3,4-thiadiazol-2-yl]amino]-4-keto-butyric acid cetyl ester Formula: C25H45N3O3S2 MolecularWeight: 499.7731

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)CCC(=O)NC1=NN=C(S1)SC(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)CCC(=O)NC1=NN=C(S1)SC(C)C

InChI

InChI=1S/C25H45N3O3S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-31-23(30)19-18-22(29)26-24-27-28-25(33-24)32-21(2)3/h21H,4-20H2,1-3H3,(H,26,27,29)