4-(1,3-benzothiazol-2-yl)-1-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]butan-1-one

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-1-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-yl)-1-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]butan-1-one CAS Name: 4-(1,3-benzothiazol-2-yl)-1-[(2R)-2-(3,4-dimethoxyphenyl)-1-pyrrolidinyl]-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-yl)-1-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-yl)-1-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidino]butan-1-one Formula: C23H26N2O3S MolecularWeight: 410.52914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CCCN2C(=O)CCCC3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2CCCN2C(=O)CCCC3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C23H26N2O3S/c1-27-19-13-12-16(15-20(19)28-2)18-8-6-14-25(18)23(26)11-5-10-22-24-17-7-3-4-9-21(17)29-22/h3-4,7,9,12-13,15,18H,5-6,8,10-11,14H2,1-2H3/t18-/m1/s1