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

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 2-(4-bromophenyl)sulfanylethanoate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 2-(4-bromophenyl)sulfanylacetate CAS Name: 2-[(4-bromophenyl)thio]acetic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 2-(4-bromophenyl)sulfanylacetate Traditional Name: 2-[(4-bromophenyl)thio]acetic acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C20H16BrNO5S MolecularWeight: 462.31374

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CSC3=CC=C(C=C3)Br

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CSC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H16BrNO5S/c1-12(23)22-15-4-7-17-13(8-19(24)27-18(17)9-15)10-26-20(25)11-28-16-5-2-14(21)3-6-16/h2-9H,10-11H2,1H3,(H,22,23)