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

Systemtic Name: ethyl 4-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxidanylidene-butanoyl]amino]benzoate Openeye Name: ethyl 4-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxo-butanoyl]amino]benzoate CAS Name: 4-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-1,4-dioxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoyl]amino]benzoate Traditional Name: 4-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-keto-butanoyl]amino]benzoic acid ethyl ester Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NC(=O)CCC(=O)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCC1=NN=C(S1)NC(=O)CCC(=O)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C17H20N4O4S/c1-3-15-20-21-17(26-15)19-14(23)10-9-13(22)18-12-7-5-11(6-8-12)16(24)25-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,18,22)(H,19,21,23)