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

Systemtic Name: ethynyl N-[3-(5-chloranyl-1,3-benzothiazol-2-yl)-4-methyl-phenyl]carbamate Openeye Name: ethynyl N-[3-(5-chloro-1,3-benzothiazol-2-yl)-4-methyl-phenyl]carbamate CAS Name: N-[3-(5-chloro-1,3-benzothiazol-2-yl)-4-methylphenyl]carbamic acid ethynyl ester IUPAC Name: ethynyl N-[3-(5-chloro-1,3-benzothiazol-2-yl)-4-methylphenyl]carbamate Traditional Name: N-[3-(5-chloro-1,3-benzothiazol-2-yl)-4-methyl-phenyl]carbamic acid ethynyl ester Formula: C17H11ClN2O2S MolecularWeight: 342.79944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11ClN2O2S/c1-3-22-17(21)19-12-6-4-10(2)13(9-12)16-20-14-8-11(18)5-7-15(14)23-16/h1,4-9H,2H3,(H,19,21)