2-[3-chloranyl-4-[(6-methyl-1,3-benzothiazol-2-yl)amino]phenyl]ethanoate

Systemtic Name: 2-[3-chloranyl-4-[(6-methyl-1,3-benzothiazol-2-yl)amino]phenyl]ethanoate Openeye Name: 2-[3-chloro-4-[(6-methyl-1,3-benzothiazol-2-yl)amino]phenyl]acetate CAS Name: 2-[3-chloro-4-[(6-methyl-1,3-benzothiazol-2-yl)amino]phenyl]acetate IUPAC Name: 2-[3-chloro-4-[(6-methyl-1,3-benzothiazol-2-yl)amino]phenyl]acetate Traditional Name: 2-[3-chloro-4-[(6-methyl-1,3-benzothiazol-2-yl)amino]phenyl]acetate Formula: C16H12ClN2O2S- MolecularWeight: 331.79668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC3=C(C=C(C=C3)CC(=O)[O-])Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC3=C(C=C(C=C3)CC(=O)[O-])Cl

InChI

InChI=1S/C16H13ClN2O2S/c1-9-2-4-13-14(6-9)22-16(19-13)18-12-5-3-10(7-11(12)17)8-15(20)21/h2-7H,8H2,1H3,(H,18,19)(H,20,21)/p-1