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

Systemtic Name: ethyl 2-[[5-[(2-oxidanylidenechromen-3-yl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-[(2-oxochromene-3-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(2-oxochromene-3-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(2-ketochromene-3-carbonyl)amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester Formula: C16H13N3O5S2 MolecularWeight: 391.42152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(S1)NC(=O)C2=CC3=CC=CC=C3OC2=O

Isomeric SMILES

CCOC(=O)CSC1=NN=C(S1)NC(=O)C2=CC3=CC=CC=C3OC2=O

InChI

InChI=1S/C16H13N3O5S2/c1-2-23-12(20)8-25-16-19-18-15(26-16)17-13(21)10-7-9-5-3-4-6-11(9)24-14(10)22/h3-7H,2,8H2,1H3,(H,17,18,21)