ethyl 4-[[3-methyl-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[3-methyl-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[2-methyl-1-[[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]carbamoyl]butyl]amino]-4-oxo-butanoate CAS Name: 4-[[3-methyl-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopentan-2-yl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[3-methyl-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopentan-2-yl]amino]-4-oxobutanoate Traditional Name: 4-keto-4-[[2-methyl-1-[[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]carbamoyl]butyl]amino]butyric acid ethyl ester Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=NN=C(S1)C2=CC=C(C=C2)C)NC(=O)CCC(=O)OCC

Isomeric SMILES

CCC(C)C(C(=O)NC1=NN=C(S1)C2=CC=C(C=C2)C)NC(=O)CCC(=O)OCC

InChI

InChI=1S/C21H28N4O4S/c1-5-14(4)18(22-16(26)11-12-17(27)29-6-2)19(28)23-21-25-24-20(30-21)15-9-7-13(3)8-10-15/h7-10,14,18H,5-6,11-12H2,1-4H3,(H,22,26)(H,23,25,28)