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

Systemtic Name: 4-(4-ethoxyphenyl)-1-propan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Openeye Name: 4-(4-ethoxyphenyl)-1-isopropyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione CAS Name: 4-(4-ethoxyphenyl)-1-propan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione IUPAC Name: 4-(4-ethoxyphenyl)-1-propan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Traditional Name: 1-isopropyl-4-p-phenetyl-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:

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

Isomeric SMILES

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

InChI

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