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

Systemtic Name: 1-pentan-2-yl-4-(4-prop-2-enoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Openeye Name: 4-(4-allyloxyphenyl)-1-(1-methylbutyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione CAS Name: 1-pentan-2-yl-4-(4-prop-2-enoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione IUPAC Name: 1-pentan-2-yl-4-(4-prop-2-enoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Traditional Name: 4-(4-allyloxyphenyl)-1-(1-methylbutyl)-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3S/c1-4-6-13(3)23-19-17(20(25)22-23)18(27-12-16(24)21-19)14-7-9-15(10-8-14)26-11-5-2/h5,7-10,13,18H,2,4,6,11-12H2,1,3H3,(H,21,24)(H,22,25)