propan-2-yl 2-[(6-bromanyl-2-oxidanylidene-chromen-3-yl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: propan-2-yl 2-[(6-bromanyl-2-oxidanylidene-chromen-3-yl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: isopropyl 2-[(6-bromo-2-oxo-chromene-3-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(6-bromo-2-oxo-1-benzopyran-3-yl)-oxomethyl]amino]-4-(methylthio)butanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(6-bromo-2-oxochromene-3-carbonyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(6-bromo-2-keto-chromene-3-carbonyl)amino]-4-(methylthio)butyric acid isopropyl ester Formula: C18H20BrNO5S MolecularWeight: 442.3241

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(CCSC)NC(=O)C1=CC2=C(C=CC(=C2)Br)OC1=O

Isomeric SMILES

CC(C)OC(=O)C(CCSC)NC(=O)C1=CC2=C(C=CC(=C2)Br)OC1=O

InChI

InChI=1S/C18H20BrNO5S/c1-10(2)24-18(23)14(6-7-26-3)20-16(21)13-9-11-8-12(19)4-5-15(11)25-17(13)22/h4-5,8-10,14H,6-7H2,1-3H3,(H,20,21)