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

Systemtic Name: 4-(4-ethoxyphenyl)-1-pentan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Openeye Name: 4-(4-ethoxyphenyl)-1-(1-methylbutyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione CAS Name: 4-(4-ethoxyphenyl)-1-pentan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione IUPAC Name: 4-(4-ethoxyphenyl)-1-pentan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Traditional Name: 1-(1-methylbutyl)-4-p-phenetyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-quinone Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)N1C2=C(C(SCC(=O)N2)C3=CC=C(C=C3)OCC)C(=O)N1

Isomeric SMILES

CCCC(C)N1C2=C(C(SCC(=O)N2)C3=CC=C(C=C3)OCC)C(=O)N1

InChI

InChI=1S/C19H25N3O3S/c1-4-6-12(3)22-18-16(19(24)21-22)17(26-11-15(23)20-18)13-7-9-14(10-8-13)25-5-2/h7-10,12,17H,4-6,11H2,1-3H3,(H,20,23)(H,21,24)