(7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C21H18BrNO5S MolecularWeight: 476.34032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)NC(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)NC(=O)C

InChI

InChI=1S/C21H18BrNO5S/c1-12-7-15(22)3-6-19(12)29-11-21(26)27-10-14-8-20(25)28-18-9-16(23-13(2)24)4-5-17(14)18/h3-9H,10-11H2,1-2H3,(H,23,24)