[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(3-methoxy-4-propan-2-yloxy-phenyl)methanone

Systemtic Name: [(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(3-methoxy-4-propan-2-yloxy-phenyl)methanone Openeye Name: [(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(4-isopropoxy-3-methoxy-phenyl)methanone CAS Name: [(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone IUPAC Name: [(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone Traditional Name: [(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-(4-isopropoxy-3-methoxy-phenyl)methanone Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(=O)N2CCCC2C3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C(=O)N2CCC[C@H]2C3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C22H24N2O3S/c1-14(2)27-18-11-10-15(13-19(18)26-3)22(25)24-12-6-8-17(24)21-23-16-7-4-5-9-20(16)28-21/h4-5,7,9-11,13-14,17H,6,8,12H2,1-3H3/t17-/m0/s1