2-[3-bromanyl-4-[(2S)-butan-2-yl]oxy-5-methoxy-phenyl]-1,3-benzothiazole

Systemtic Name: 2-[3-bromanyl-4-[(2S)-butan-2-yl]oxy-5-methoxy-phenyl]-1,3-benzothiazole Openeye Name: 2-[3-bromo-5-methoxy-4-[(1S)-1-methylpropoxy]phenyl]-1,3-benzothiazole CAS Name: 2-[3-bromo-4-[(2S)-butan-2-yl]oxy-5-methoxyphenyl]-1,3-benzothiazole IUPAC Name: 2-[3-bromo-4-[(2S)-butan-2-yl]oxy-5-methoxyphenyl]-1,3-benzothiazole Traditional Name: 2-[3-bromo-5-methoxy-4-[(1S)-1-methylpropoxy]phenyl]-1,3-benzothiazole Formula: C18H18BrNO2S MolecularWeight: 392.31002

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=C(C=C(C=C1Br)C2=NC3=CC=CC=C3S2)OC

Isomeric SMILES

CC[C@H](C)OC1=C(C=C(C=C1Br)C2=NC3=CC=CC=C3S2)OC

InChI

InChI=1S/C18H18BrNO2S/c1-4-11(2)22-17-13(19)9-12(10-15(17)21-3)18-20-14-7-5-6-8-16(14)23-18/h5-11H,4H2,1-3H3/t11-/m0/s1