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

Systemtic Name: 4-(4-methoxy-3-oxidanyl-phenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 4-(3-hydroxy-4-methoxy-phenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 4-(3-hydroxy-4-methoxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 4-(3-hydroxy-4-methoxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 4-(3-hydroxy-4-methoxy-phenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C3=CNNC3=NC(=O)CS2)O

Isomeric SMILES

COC1=C(C=C(C=C1)C2C3=CNNC3=NC(=O)CS2)O

InChI

InChI=1S/C13H13N3O3S/c1-19-10-3-2-7(4-9(10)17)12-8-5-14-16-13(8)15-11(18)6-20-12/h2-5,12,17H,6H2,1H3,(H2,14,15,16,18)