1-cyclohexyl-4-(2-ethoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione

Systemtic Name: 1-cyclohexyl-4-(2-ethoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Openeye Name: 1-cyclohexyl-4-(2-ethoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione CAS Name: 1-cyclohexyl-4-(2-ethoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione IUPAC Name: 1-cyclohexyl-4-(2-ethoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Traditional Name: 1-cyclohexyl-4-o-phenetyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-quinone Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCCC4

Isomeric SMILES

CCOC1=CC=CC=C1C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCCC4

InChI

InChI=1S/C20H25N3O3S/c1-2-26-15-11-7-6-10-14(15)18-17-19(21-16(24)12-27-18)23(22-20(17)25)13-8-4-3-5-9-13/h6-7,10-11,13,18H,2-5,8-9,12H2,1H3,(H,21,24)(H,22,25)