ethyl 2-(7-bromanyl-6-methyl-8-oxidanylidene-pyrano[2,3-e][1,3]benzoxazol-2-yl)sulfanylethanoate

Systemtic Name: ethyl 2-(7-bromanyl-6-methyl-8-oxidanylidene-pyrano[2,3-e][1,3]benzoxazol-2-yl)sulfanylethanoate Openeye Name: ethyl 2-(7-bromo-6-methyl-8-oxo-pyrano[2,3-e][1,3]benzoxazol-2-yl)sulfanylacetate CAS Name: 2-[(7-bromo-6-methyl-8-oxo-2-pyrano[2,3-e][1,3]benzoxazolyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(7-bromo-6-methyl-8-oxopyrano[2,3-e][1,3]benzoxazol-2-yl)sulfanylacetate Traditional Name: 2-[(7-bromo-8-keto-6-methyl-pyrano[2,3-e][1,3]benzoxazol-2-yl)thio]acetic acid ethyl ester Formula: C15H12BrNO5S MolecularWeight: 398.22848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(O1)C=CC3=C2OC(=O)C(=C3C)Br

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(O1)C=CC3=C2OC(=O)C(=C3C)Br

InChI

InChI=1S/C15H12BrNO5S/c1-3-20-10(18)6-23-15-17-12-9(21-15)5-4-8-7(2)11(16)14(19)22-13(8)12/h4-5H,3,6H2,1-2H3