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

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

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

Isomeric SMILES

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

InChI

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