(1S,2S,3R)-3-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzothiazole-4-carbonitrile

Systemtic Name: (1S,2S,3R)-3-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzothiazole-4-carbonitrile Openeye Name: (1S,2S,3R)-3-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzothiazole-4-carbonitrile CAS Name: (1S,2S,3R)-3-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzothiazole-4-carbonitrile IUPAC Name: (1S,2S,3R)-3-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzothiazole-4-carbonitrile Traditional Name: (1S,2S,3R)-3-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzothiazole-4-carbonitrile Formula: C26H21ClN2OS MolecularWeight: 444.97574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=C2N(C1C3=CC=C(C=C3)OC)C4=CC=CC=C4S2)C#N)C5=CC=C(C=C5)Cl

Isomeric SMILES

C[C@H]1[C@@H](C(=C2N([C@@H]1C3=CC=C(C=C3)OC)C4=CC=CC=C4S2)C#N)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H21ClN2OS/c1-16-24(17-7-11-19(27)12-8-17)21(15-28)26-29(22-5-3-4-6-23(22)31-26)25(16)18-9-13-20(30-2)14-10-18/h3-14,16,24-25H,1-2H3/t16-,24+,25-/m0/s1