6-methoxy-1,1-bis(oxidanylidene)-2-[(2-phenylpyrazol-3-yl)oxymethyl]-4-propan-2-yl-1,2-benzothiazol-3-one

Systemtic Name: 6-methoxy-1,1-bis(oxidanylidene)-2-[(2-phenylpyrazol-3-yl)oxymethyl]-4-propan-2-yl-1,2-benzothiazol-3-one Openeye Name: 4-isopropyl-6-methoxy-1,1-dioxo-2-[(2-phenylpyrazol-3-yl)oxymethyl]-1,2-benzothiazol-3-one CAS Name: 6-methoxy-1,1-dioxo-2-[(2-phenyl-3-pyrazolyl)oxymethyl]-4-propan-2-yl-1,2-benzothiazol-3-one IUPAC Name: 6-methoxy-1,1-dioxo-2-[(2-phenylpyrazol-3-yl)oxymethyl]-4-propan-2-yl-1,2-benzothiazol-3-one Traditional Name: 4-isopropyl-1,1-diketo-6-methoxy-2-[(2-phenylpyrazol-3-yl)oxymethyl]-1,2-benzothiazol-3-one Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC2=C1C(=O)N(S2(=O)=O)COC3=CC=NN3C4=CC=CC=C4)OC

Isomeric SMILES

CC(C)C1=CC(=CC2=C1C(=O)N(S2(=O)=O)COC3=CC=NN3C4=CC=CC=C4)OC

InChI

InChI=1S/C21H21N3O5S/c1-14(2)17-11-16(28-3)12-18-20(17)21(25)23(30(18,26)27)13-29-19-9-10-22-24(19)15-7-5-4-6-8-15/h4-12,14H,13H2,1-3H3