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

Systemtic Name: 1-cyclopentyl-4-(4-ethoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Openeye Name: 1-cyclopentyl-4-(4-ethoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione CAS Name: 1-cyclopentyl-4-(4-ethoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione IUPAC Name: 1-cyclopentyl-4-(4-ethoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Traditional Name: 1-cyclopentyl-4-p-phenetyl-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:

CCOC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCC4

InChI

InChI=1S/C19H23N3O3S/c1-2-25-14-9-7-12(8-10-14)17-16-18(20-15(23)11-26-17)22(21-19(16)24)13-5-3-4-6-13/h7-10,13,17H,2-6,11H2,1H3,(H,20,23)(H,21,24)