4-(3,5-dimethoxy-4-oxidanyl-phenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one

Systemtic Name: 4-(3,5-dimethoxy-4-oxidanyl-phenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 4-(4-hydroxy-3,5-dimethoxy-phenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 4-(4-hydroxy-3,5-dimethoxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 4-(4-hydroxy-3,5-dimethoxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 4-(4-hydroxy-3,5-dimethoxy-phenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C14H15N3O4S MolecularWeight: 321.3516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C2C3=CNNC3=NC(=O)CS2

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)C2C3=CNNC3=NC(=O)CS2

InChI

InChI=1S/C14H15N3O4S/c1-20-9-3-7(4-10(21-2)12(9)19)13-8-5-15-17-14(8)16-11(18)6-22-13/h3-5,13,19H,6H2,1-2H3,(H2,15,16,17,18)