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

Systemtic Name: 1-butan-2-yl-4-(4-methoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Openeye Name: 4-(4-methoxyphenyl)-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-methoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione IUPAC Name: 1-butan-2-yl-4-(4-methoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Traditional Name: 4-(4-methoxyphenyl)-1-sec-butyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-quinone Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O3S/c1-4-10(2)20-16-14(17(22)19-20)15(24-9-13(21)18-16)11-5-7-12(23-3)8-6-11/h5-8,10,15H,4,9H2,1-3H3,(H,18,21)(H,19,22)