(7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: (7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: (7-bromo-2-oxo-chromen-4-yl)methyl 2-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]thio]acetic acid (7-bromo-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-bromo-2-oxochromen-4-yl)methyl 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]thio]acetic acid (7-bromo-2-keto-chromen-4-yl)methyl ester Formula: C18H15BrN2O6S MolecularWeight: 467.2905

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CSCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)Br

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CSCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)Br

InChI

InChI=1S/C18H15BrN2O6S/c1-10-4-15(21-27-10)20-16(22)8-28-9-18(24)25-7-11-5-17(23)26-14-6-12(19)2-3-13(11)14/h2-6H,7-9H2,1H3,(H,20,21,22)