1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(5-ethanoyl-2-methoxy-phenyl)ethanone

Systemtic Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(5-ethanoyl-2-methoxy-phenyl)ethanone Openeye Name: 2-(5-acetyl-2-methoxy-phenyl)-1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethanone CAS Name: 2-(5-acetyl-2-methoxyphenyl)-1-[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]ethanone IUPAC Name: 2-(5-acetyl-2-methoxyphenyl)-1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethanone Traditional Name: 2-(5-acetyl-2-methoxy-phenyl)-1-[2-(1,3-benzothiazol-2-yl)pyrrolidino]ethanone Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O3S/c1-14(25)15-9-10-19(27-2)16(12-15)13-21(26)24-11-5-7-18(24)22-23-17-6-3-4-8-20(17)28-22/h3-4,6,8-10,12,18H,5,7,11,13H2,1-2H3