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

Systemtic Name: 1-butan-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-sec-butyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione CAS Name: 1-butan-2-yl-4-(4-prop-2-enoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione IUPAC Name: 1-butan-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-sec-butyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O3S/c1-4-10-25-14-8-6-13(7-9-14)17-16-18(20-15(23)11-26-17)22(12(3)5-2)21-19(16)24/h4,6-9,12,17H,1,5,10-11H2,2-3H3,(H,20,23)(H,21,24)