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

Systemtic Name: 1-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(4-methoxyphenoxy)butan-1-one Openeye Name: 1-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(4-methoxyphenoxy)butan-1-one CAS Name: 1-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-4-(4-methoxyphenoxy)-1-butanone IUPAC Name: 1-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(4-methoxyphenoxy)butan-1-one Traditional Name: 1-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-4-(4-methoxyphenoxy)butan-1-one Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCCC(=O)N2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)OCCCC(=O)N2CCC[C@@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H24N2O3S/c1-26-16-10-12-17(13-11-16)27-15-5-9-21(25)24-14-4-7-19(24)22-23-18-6-2-3-8-20(18)28-22/h2-3,6,8,10-13,19H,4-5,7,9,14-15H2,1H3/t19-/m1/s1