[2-oxidanylidene-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl] 3,4,5-triethoxybenzoate

Systemtic Name: [2-oxidanylidene-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl] 3,4,5-triethoxybenzoate Openeye Name: [2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl] 3,4,5-triethoxybenzoate CAS Name: 3,4,5-triethoxybenzoic acid [2-oxo-2-[[3-(propylthio)-1,2,4-thiadiazol-5-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl] 3,4,5-triethoxybenzoate Traditional Name: 3,4,5-triethoxybenzoic acid [2-keto-2-[[3-(propylthio)-1,2,4-thiadiazol-5-yl]amino]ethyl] ester Formula: C20H27N3O6S2 MolecularWeight: 469.57488

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NSC(=N1)NC(=O)COC(=O)C2=CC(=C(C(=C2)OCC)OCC)OCC

Isomeric SMILES

CCCSC1=NSC(=N1)NC(=O)COC(=O)C2=CC(=C(C(=C2)OCC)OCC)OCC

InChI

InChI=1S/C20H27N3O6S2/c1-5-9-30-20-22-19(31-23-20)21-16(24)12-29-18(25)13-10-14(26-6-2)17(28-8-4)15(11-13)27-7-3/h10-11H,5-9,12H2,1-4H3,(H,21,22,23,24)