4-azanylidene-3-[(3,4-dimethoxyphenyl)methylidene]-8-methylsulfonyl-pyrimido[2,1-b][1,3]benzothiazol-2-one

Systemtic Name: 4-azanylidene-3-[(3,4-dimethoxyphenyl)methylidene]-8-methylsulfonyl-pyrimido[2,1-b][1,3]benzothiazol-2-one Openeye Name: 3-[(3,4-dimethoxyphenyl)methylene]-4-imino-8-methylsulfonyl-pyrimido[2,1-b][1,3]benzothiazol-2-one CAS Name: 3-[(3,4-dimethoxyphenyl)methylidene]-4-imino-8-methylsulfonyl-2-pyrimido[2,1-b][1,3]benzothiazolone IUPAC Name: 3-[(3,4-dimethoxyphenyl)methylidene]-4-imino-8-methylsulfonylpyrimido[2,1-b][1,3]benzothiazol-2-one Traditional Name: 4-imino-8-mesyl-3-veratrylidene-pyrimido[2,1-b][1,3]benzothiazol-2-one Formula: C20H17N3O5S2 MolecularWeight: 443.49608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C2C(=N)N3C4=C(C=C(C=C4)S(=O)(=O)C)SC3=NC2=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C=C2C(=N)N3C4=C(C=C(C=C4)S(=O)(=O)C)SC3=NC2=O)OC

InChI

InChI=1S/C20H17N3O5S2/c1-27-15-7-4-11(9-16(15)28-2)8-13-18(21)23-14-6-5-12(30(3,25)26)10-17(14)29-20(23)22-19(13)24/h4-10,21H,1-3H3