(4,4-dimethyl-8-phenylsulfanyl-5H-thieno[3,4-g][1,2]benzoxazol-6-yl)-pyrrolidin-1-yl-methanone

Systemtic Name: (4,4-dimethyl-8-phenylsulfanyl-5H-thieno[3,4-g][1,2]benzoxazol-6-yl)-pyrrolidin-1-yl-methanone Openeye Name: (4,4-dimethyl-8-phenylsulfanyl-5H-thieno[3,4-g][1,2]benzoxazol-6-yl)-pyrrolidin-1-yl-methanone CAS Name: [4,4-dimethyl-8-(phenylthio)-5H-thieno[3,4-g][1,2]benzoxazol-6-yl]-(1-pyrrolidinyl)methanone IUPAC Name: (4,4-dimethyl-8-phenylsulfanyl-5H-thieno[3,4-g][1,2]benzoxazol-6-yl)-pyrrolidin-1-ylmethanone Traditional Name: [4,4-dimethyl-8-(phenylthio)-5H-thien[3,4-g]indoxazen-6-yl]-pyrrolidino-methanone Formula: C22H22N2O2S2 MolecularWeight: 410.55228

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C3=C1C=NO3)SC4=CC=CC=C4)C(=O)N5CCCC5)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C3=C1C=NO3)SC4=CC=CC=C4)C(=O)N5CCCC5)C

InChI

InChI=1S/C22H22N2O2S2/c1-22(2)12-15-17(18-16(22)13-23-26-18)21(27-14-8-4-3-5-9-14)28-19(15)20(25)24-10-6-7-11-24/h3-5,8-9,13H,6-7,10-12H2,1-2H3