2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one

Systemtic Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 2-[[(6-ethoxy-1,3-benzothiazol-2-yl)thio]methyl]-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-[[(6-ethoxy-1,3-benzothiazol-2-yl)thio]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C20H19N3O4S2 MolecularWeight: 429.51256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SCC3=NC(=O)C4=CC(=C(C=C4N3)OC)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SCC3=NC(=O)C4=CC(=C(C=C4N3)OC)OC

InChI

InChI=1S/C20H19N3O4S2/c1-4-27-11-5-6-13-17(7-11)29-20(22-13)28-10-18-21-14-9-16(26-3)15(25-2)8-12(14)19(24)23-18/h5-9H,4,10H2,1-3H3,(H,21,23,24)