ethynyl N-[4-methyl-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]carbamate

Systemtic Name: ethynyl N-[4-methyl-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]carbamate Openeye Name: ethynyl N-[4-methyl-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]carbamate CAS Name: N-[4-methyl-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]carbamic acid ethynyl ester IUPAC Name: ethynyl N-[4-methyl-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]carbamate Traditional Name: N-[4-methyl-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]carbamic acid ethynyl ester Formula: C18H11F3N2O2S MolecularWeight: 376.35235

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)OC#C)C2=NC3=C(S2)C=CC(=C3)C(F)(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)OC#C)C2=NC3=C(S2)C=CC(=C3)C(F)(F)F

InChI

InChI=1S/C18H11F3N2O2S/c1-3-25-17(24)22-12-6-4-10(2)13(9-12)16-23-14-8-11(18(19,20)21)5-7-15(14)26-16/h1,4-9H,2H3,(H,22,24)