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

Systemtic Name: 4-(3-methoxy-2-propan-2-yloxy-phenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 4-(2-isopropoxy-3-methoxy-phenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 4-(3-methoxy-2-propan-2-yloxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 4-(3-methoxy-2-propan-2-yloxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 4-(2-isopropoxy-3-methoxy-phenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=CC=C1OC)C2C3=CNNC3=NC(=O)CS2

Isomeric SMILES

CC(C)OC1=C(C=CC=C1OC)C2C3=CNNC3=NC(=O)CS2

InChI

InChI=1S/C16H19N3O3S/c1-9(2)22-14-10(5-4-6-12(14)21-3)15-11-7-17-19-16(11)18-13(20)8-23-15/h4-7,9,15H,8H2,1-3H3,(H2,17,18,19,20)