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

Systemtic Name: 1-cyclopentyl-4-(2-methoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Openeye Name: 1-cyclopentyl-4-(2-methoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione CAS Name: 1-cyclopentyl-4-(2-methoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione IUPAC Name: 1-cyclopentyl-4-(2-methoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Traditional Name: 1-cyclopentyl-4-(2-methoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-quinone Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCC4

Isomeric SMILES

COC1=CC=CC=C1C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCC4

InChI

InChI=1S/C18H21N3O3S/c1-24-13-9-5-4-8-12(13)16-15-17(19-14(22)10-25-16)21(20-18(15)23)11-6-2-3-7-11/h4-5,8-9,11,16H,2-3,6-7,10H2,1H3,(H,19,22)(H,20,23)