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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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