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

Systemtic Name: 1-cyclohexyl-4-(2-methoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Openeye Name: 1-cyclohexyl-4-(2-methoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione CAS Name: 1-cyclohexyl-4-(2-methoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione IUPAC Name: 1-cyclohexyl-4-(2-methoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Traditional Name: 1-cyclohexyl-4-(2-methoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-quinone Formula: C19H23N3O3S MolecularWeight: 373.46922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCCC4

InChI

InChI=1S/C19H23N3O3S/c1-25-14-10-6-5-9-13(14)17-16-18(20-15(23)11-26-17)22(21-19(16)24)12-7-3-2-4-8-12/h5-6,9-10,12,17H,2-4,7-8,11H2,1H3,(H,20,23)(H,21,24)