1,3-benzothiazol-2-ylmethyl-[(2S)-1-[(4-chloranyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(2S)-1-[(4-chloranyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-2-(4-chloro-2-fluoro-anilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(2S)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(2S)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-2-(4-chloro-2-fluoro-anilino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C18H18ClFN3OS+ MolecularWeight: 378.871423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)Cl)F)[NH+](C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C(C=C1)Cl)F)[NH+](C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H17ClFN3OS/c1-11(18(24)22-14-8-7-12(19)9-13(14)20)23(2)10-17-21-15-5-3-4-6-16(15)25-17/h3-9,11H,10H2,1-2H3,(H,22,24)/p+1/t11-/m0/s1