1-(6-fluoranyl-2-prop-2-ynoxy-1,3-benzothiazol-5-yl)-3,4-dimethyl-pyrrole-2,5-dione

Systemtic Name: 1-(6-fluoranyl-2-prop-2-ynoxy-1,3-benzothiazol-5-yl)-3,4-dimethyl-pyrrole-2,5-dione Openeye Name: 1-(6-fluoro-2-prop-2-ynoxy-1,3-benzothiazol-5-yl)-3,4-dimethyl-pyrrole-2,5-dione CAS Name: 1-(6-fluoro-2-prop-2-ynoxy-1,3-benzothiazol-5-yl)-3,4-dimethylpyrrole-2,5-dione IUPAC Name: 1-(6-fluoro-2-prop-2-ynoxy-1,3-benzothiazol-5-yl)-3,4-dimethylpyrrole-2,5-dione Traditional Name: 1-(6-fluoro-2-propargyloxy-1,3-benzothiazol-5-yl)-3,4-dimethyl-3-pyrroline-2,5-quinone Formula: C16H11FN2O3S MolecularWeight: 330.333543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C1=O)C2=C(C=C3C(=C2)N=C(S3)OCC#C)F)C

Isomeric SMILES

CC1=C(C(=O)N(C1=O)C2=C(C=C3C(=C2)N=C(S3)OCC#C)F)C

InChI

InChI=1S/C16H11FN2O3S/c1-4-5-22-16-18-11-7-12(10(17)6-13(11)23-16)19-14(20)8(2)9(3)15(19)21/h1,6-7H,5H2,2-3H3