4-(1,3-benzothiazol-2-ylsulfanyl)-1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]butan-1-one

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]butan-1-one CAS Name: 4-(1,3-benzothiazol-2-ylthio)-1-[(2R)-2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidino]butan-1-one Formula: C23H26N2O3S2 MolecularWeight: 442.59414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)CCCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)[C@H]2CCCN2C(=O)CCCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H26N2O3S2/c1-27-16-11-12-20(28-2)17(15-16)19-8-5-13-25(19)22(26)10-6-14-29-23-24-18-7-3-4-9-21(18)30-23/h3-4,7,9,11-12,15,19H,5-6,8,10,13-14H2,1-2H3/t19-/m1/s1