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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C(=C(C(=C2)C3=CC=C(S3)C(C)(C)C)Br)OC)C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C(=C(C(=C2)C3=CC=C(S3)C(C)(C)C)Br)OC)C

InChI

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