methyl 4-chloranyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzoate Openeye Name: methyl 4-chloro-3-[(2-methylthiazol-4-yl)methylamino]benzoate CAS Name: 4-chloro-3-[(2-methyl-4-thiazolyl)methylamino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzoate Traditional Name: 4-chloro-3-[(2-methylthiazol-4-yl)methylamino]benzoic acid methyl ester Formula: C13H13ClN2O2S MolecularWeight: 296.77252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CNC2=C(C=CC(=C2)C(=O)OC)Cl

Isomeric SMILES

CC1=NC(=CS1)CNC2=C(C=CC(=C2)C(=O)OC)Cl

InChI

InChI=1S/C13H13ClN2O2S/c1-8-16-10(7-19-8)6-15-12-5-9(13(17)18-2)3-4-11(12)14/h3-5,7,15H,6H2,1-2H3