6-bromanyl-7-(5-tert-butylthiophen-2-yl)-4-methoxy-3,5-dimethyl-chromen-2-one

Systemtic Name: 6-bromanyl-7-(5-tert-butylthiophen-2-yl)-4-methoxy-3,5-dimethyl-chromen-2-one Openeye Name: 6-bromo-7-(5-tert-butyl-2-thienyl)-4-methoxy-3,5-dimethyl-chromen-2-one CAS Name: 6-bromo-7-(5-tert-butyl-2-thiophenyl)-4-methoxy-3,5-dimethyl-1-benzopyran-2-one IUPAC Name: 6-bromo-7-(5-tert-butylthiophen-2-yl)-4-methoxy-3,5-dimethylchromen-2-one Traditional Name: 6-bromo-7-(5-tert-butyl-2-thienyl)-4-methoxy-3,5-dimethyl-coumarin Formula: C20H21BrO3S MolecularWeight: 421.34794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=C1C(=C(C(=O)O2)C)OC)C3=CC=C(S3)C(C)(C)C)Br

Isomeric SMILES

CC1=C(C(=CC2=C1C(=C(C(=O)O2)C)OC)C3=CC=C(S3)C(C)(C)C)Br

InChI

InChI=1S/C20H21BrO3S/c1-10-16-13(24-19(22)11(2)18(16)23-6)9-12(17(10)21)14-7-8-15(25-14)20(3,4)5/h7-9H,1-6H3