4-[[4-(1,3-benzothiazol-2-yl)-3-methoxy-phenyl]methoxy]-3,3-dimethyl-butan-2-ol

Systemtic Name: 4-[[4-(1,3-benzothiazol-2-yl)-3-methoxy-phenyl]methoxy]-3,3-dimethyl-butan-2-ol Openeye Name: 4-[[4-(1,3-benzothiazol-2-yl)-3-methoxy-phenyl]methoxy]-3,3-dimethyl-butan-2-ol CAS Name: 4-[[4-(1,3-benzothiazol-2-yl)-3-methoxyphenyl]methoxy]-3,3-dimethyl-2-butanol IUPAC Name: 4-[[4-(1,3-benzothiazol-2-yl)-3-methoxyphenyl]methoxy]-3,3-dimethylbutan-2-ol Traditional Name: 4-[4-(1,3-benzothiazol-2-yl)-3-methoxy-benzyl]oxy-3,3-dimethyl-butan-2-ol Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(C)COCC1=CC(=C(C=C1)C2=NC3=CC=CC=C3S2)OC)O

Isomeric SMILES

CC(C(C)(C)COCC1=CC(=C(C=C1)C2=NC3=CC=CC=C3S2)OC)O

InChI

InChI=1S/C21H25NO3S/c1-14(23)21(2,3)13-25-12-15-9-10-16(18(11-15)24-4)20-22-17-7-5-6-8-19(17)26-20/h5-11,14,23H,12-13H2,1-4H3