1-[[4-(1,3-benzothiazol-2-yl)-3-methoxy-phenyl]methoxy]-2,2-dimethyl-pentan-3-one

Systemtic Name: 1-[[4-(1,3-benzothiazol-2-yl)-3-methoxy-phenyl]methoxy]-2,2-dimethyl-pentan-3-one Openeye Name: 1-[[4-(1,3-benzothiazol-2-yl)-3-methoxy-phenyl]methoxy]-2,2-dimethyl-pentan-3-one CAS Name: 1-[[4-(1,3-benzothiazol-2-yl)-3-methoxyphenyl]methoxy]-2,2-dimethyl-3-pentanone IUPAC Name: 1-[[4-(1,3-benzothiazol-2-yl)-3-methoxyphenyl]methoxy]-2,2-dimethylpentan-3-one Traditional Name: 1-[4-(1,3-benzothiazol-2-yl)-3-methoxy-benzyl]oxy-2,2-dimethyl-pentan-3-one Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO3S/c1-5-20(24)22(2,3)14-26-13-15-10-11-16(18(12-15)25-4)21-23-17-8-6-7-9-19(17)27-21/h6-12H,5,13-14H2,1-4H3