(7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate

Systemtic Name: (7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate Openeye Name: (7-bromo-2-oxo-chromen-4-yl)methyl 6-methyl-2,3-dihydrobenzothiophene-2-carboxylate CAS Name: 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylic acid (7-bromo-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-bromo-2-oxochromen-4-yl)methyl 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate Traditional Name: 6-methyl-2,3-dihydrobenzothiophene-2-carboxylic acid (7-bromo-2-keto-chromen-4-yl)methyl ester Formula: C20H15BrO4S MolecularWeight: 431.2997

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(S2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)Br)C=C1

Isomeric SMILES

CC1=CC2=C(CC(S2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)Br)C=C1

InChI

InChI=1S/C20H15BrO4S/c1-11-2-3-12-7-18(26-17(12)6-11)20(23)24-10-13-8-19(22)25-16-9-14(21)4-5-15(13)16/h2-6,8-9,18H,7,10H2,1H3