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

Systemtic Name: 1-butan-2-yl-4-(4-ethoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Openeye Name: 4-(4-ethoxyphenyl)-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-ethoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione IUPAC Name: 1-butan-2-yl-4-(4-ethoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Traditional Name: 4-p-phenetyl-1-sec-butyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-quinone Formula: C18H23N3O3S MolecularWeight: 361.45852

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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(=O)N1

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3S/c1-4-11(3)21-17-15(18(23)20-21)16(25-10-14(22)19-17)12-6-8-13(9-7-12)24-5-2/h6-9,11,16H,4-5,10H2,1-3H3,(H,19,22)(H,20,23)