6-bromanyl-5-methoxy-3,4-dimethyl-7-(5-methyl-1,3,4-thiadiazol-2-yl)chromen-2-one

Systemtic Name: 6-bromanyl-5-methoxy-3,4-dimethyl-7-(5-methyl-1,3,4-thiadiazol-2-yl)chromen-2-one Openeye Name: 6-bromo-5-methoxy-3,4-dimethyl-7-(5-methyl-1,3,4-thiadiazol-2-yl)chromen-2-one CAS Name: 6-bromo-5-methoxy-3,4-dimethyl-7-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzopyran-2-one IUPAC Name: 6-bromo-5-methoxy-3,4-dimethyl-7-(5-methyl-1,3,4-thiadiazol-2-yl)chromen-2-one Traditional Name: 6-bromo-5-methoxy-3,4-dimethyl-7-(5-methyl-1,3,4-thiadiazol-2-yl)coumarin Formula: C15H13BrN2O3S MolecularWeight: 381.24432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13BrN2O3S/c1-6-7(2)15(19)21-10-5-9(14-18-17-8(3)22-14)12(16)13(20-4)11(6)10/h5H,1-4H3