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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OCCCC(=O)N2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC1=CC=CC=C1OCCCC(=O)N2CCC[C@@H]2C3=NC4=CC=CC=C4S3

InChI

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