N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(4-fluorophenyl)sulfonyl-propanamide

Systemtic Name: N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(4-fluorophenyl)sulfonyl-propanamide Openeye Name: N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(4-fluorophenyl)sulfonyl-propanamide CAS Name: N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(4-fluorophenyl)sulfonylpropanamide IUPAC Name: N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(4-fluorophenyl)sulfonylpropanamide Traditional Name: N-(5,6-dimethyl-3-propargyl-1,3-benzothiazol-2-ylidene)-3-(4-fluorophenyl)sulfonyl-propionamide Formula: C21H19FN2O3S2 MolecularWeight: 430.515563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)F)N2CC#C

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)F)N2CC#C

InChI

InChI=1S/C21H19FN2O3S2/c1-4-10-24-18-12-14(2)15(3)13-19(18)28-21(24)23-20(25)9-11-29(26,27)17-7-5-16(22)6-8-17/h1,5-8,12-13H,9-11H2,2-3H3