3-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)propan-1-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)propan-1-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)propan-1-one CAS Name: 3-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)-1-propanone IUPAC Name: 3-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)propan-1-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)propan-1-one Formula: C17H15NO2S MolecularWeight: 297.3715

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H15NO2S/c1-20-13-8-6-12(7-9-13)15(19)10-11-17-18-14-4-2-3-5-16(14)21-17/h2-9H,10-11H2,1H3