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

Systemtic Name: 4-(2,3-dimethoxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 4-(2,3-dimethoxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 4-(2,3-dimethoxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 4-(2,3-dimethoxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 4-(2,3-dimethoxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C14H15N3O3S MolecularWeight: 305.3522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2C3=CNNC3=NC(=O)CS2

Isomeric SMILES

COC1=CC=CC(=C1OC)C2C3=CNNC3=NC(=O)CS2

InChI

InChI=1S/C14H15N3O3S/c1-19-10-5-3-4-8(12(10)20-2)13-9-6-15-17-14(9)16-11(18)7-21-13/h3-6,13H,7H2,1-2H3,(H2,15,16,17,18)