ethyl 2-[[5-[(2-oxidanylidenechromen-3-yl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]butanoate

Systemtic Name: ethyl 2-[[5-[(2-oxidanylidenechromen-3-yl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]butanoate Openeye Name: ethyl 2-[[5-[(2-oxochromene-3-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]butanoate CAS Name: 2-[[5-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]-1,3,4-thiadiazol-2-yl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(2-oxochromene-3-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]butanoate Traditional Name: 2-[[5-[(2-ketochromene-3-carbonyl)amino]-1,3,4-thiadiazol-2-yl]thio]butyric acid ethyl ester Formula: C18H17N3O5S2 MolecularWeight: 419.47468

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)SC1=NN=C(S1)NC(=O)C2=CC3=CC=CC=C3OC2=O

Isomeric SMILES

CCC(C(=O)OCC)SC1=NN=C(S1)NC(=O)C2=CC3=CC=CC=C3OC2=O

InChI

InChI=1S/C18H17N3O5S2/c1-3-13(16(24)25-4-2)27-18-21-20-17(28-18)19-14(22)11-9-10-7-5-6-8-12(10)26-15(11)23/h5-9,13H,3-4H2,1-2H3,(H,19,20,22)