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

Systemtic Name: 1-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(3-methylphenoxy)butan-1-one Openeye Name: 1-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(3-methylphenoxy)butan-1-one CAS Name: 1-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-4-(3-methylphenoxy)-1-butanone IUPAC Name: 1-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(3-methylphenoxy)butan-1-one Traditional Name: 1-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-4-(3-methylphenoxy)butan-1-one Formula: C22H24N2O2S MolecularWeight: 380.50316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCC(=O)N2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=CC=C1)OCCCC(=O)N2CCC[C@@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H24N2O2S/c1-16-7-4-8-17(15-16)26-14-6-12-21(25)24-13-5-10-19(24)22-23-18-9-2-3-11-20(18)27-22/h2-4,7-9,11,15,19H,5-6,10,12-14H2,1H3/t19-/m1/s1