[3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [3-[[(4-methyl-1,3-benzoxazol-2-yl)thio]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [3-[[(4-methyl-1,3-benzoxazol-2-yl)thio]methyl]phenyl]-pyrrolidino-methanone Formula: C20H20N2O2S MolecularWeight: 352.45

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)OC(=N2)SCC3=CC=CC(=C3)C(=O)N4CCCC4

Isomeric SMILES

CC1=C2C(=CC=C1)OC(=N2)SCC3=CC=CC(=C3)C(=O)N4CCCC4

InChI

InChI=1S/C20H20N2O2S/c1-14-6-4-9-17-18(14)21-20(24-17)25-13-15-7-5-8-16(12-15)19(23)22-10-2-3-11-22/h4-9,12H,2-3,10-11,13H2,1H3