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

Systemtic Name: 1-[[4-(1,3-benzothiazol-2-yl)-3-methoxy-phenyl]methoxy]-2,2,4-trimethyl-pentan-3-one Openeye Name: 1-[[4-(1,3-benzothiazol-2-yl)-3-methoxy-phenyl]methoxy]-2,2,4-trimethyl-pentan-3-one CAS Name: 1-[[4-(1,3-benzothiazol-2-yl)-3-methoxyphenyl]methoxy]-2,2,4-trimethyl-3-pentanone IUPAC Name: 1-[[4-(1,3-benzothiazol-2-yl)-3-methoxyphenyl]methoxy]-2,2,4-trimethylpentan-3-one Traditional Name: 1-[4-(1,3-benzothiazol-2-yl)-3-methoxy-benzyl]oxy-2,2,4-trimethyl-pentan-3-one Formula: C23H27NO3S MolecularWeight: 397.53038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO3S/c1-15(2)21(25)23(3,4)14-27-13-16-10-11-17(19(12-16)26-5)22-24-18-8-6-7-9-20(18)28-22/h6-12,15H,13-14H2,1-5H3