2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone CAS Name: 2-(1,3-benzoxazol-2-ylthio)-1-[2-(2,4-dimethoxyphenyl)-1-pyrrolidinyl]ethanone IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-1-[2-(2,4-dimethoxyphenyl)pyrrolidino]ethanone Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CCCN2C(=O)CSC3=NC4=CC=CC=C4O3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2CCCN2C(=O)CSC3=NC4=CC=CC=C4O3)OC

InChI

InChI=1S/C21H22N2O4S/c1-25-14-9-10-15(19(12-14)26-2)17-7-5-11-23(17)20(24)13-28-21-22-16-6-3-4-8-18(16)27-21/h3-4,6,8-10,12,17H,5,7,11,13H2,1-2H3