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

Systemtic Name: 1-cyclopentyl-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-cyclopentyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione CAS Name: 1-cyclopentyl-4-(4-prop-2-enoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione IUPAC Name: 1-cyclopentyl-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-cyclopentyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-quinone Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S/c1-2-11-26-15-9-7-13(8-10-15)18-17-19(21-16(24)12-27-18)23(22-20(17)25)14-5-3-4-6-14/h2,7-10,14,18H,1,3-6,11-12H2,(H,21,24)(H,22,25)