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

Systemtic Name: ethyl 2-[[5-[(2-oxidanylidenechromen-3-yl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate Openeye Name: ethyl 2-[[5-[(2-oxochromene-3-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate CAS Name: 2-[[5-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]-1,3,4-thiadiazol-2-yl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(2-oxochromene-3-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate Traditional Name: 2-[[5-[(2-ketochromene-3-carbonyl)amino]-1,3,4-thiadiazol-2-yl]thio]propionic acid ethyl ester Formula: C17H15N3O5S2 MolecularWeight: 405.4481

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O5S2/c1-3-24-14(22)9(2)26-17-20-19-16(27-17)18-13(21)11-8-10-6-4-5-7-12(10)25-15(11)23/h4-9H,3H2,1-2H3,(H,18,19,21)