ethyl 4-[(4-azanyl-2-chloranyl-phenyl)sulfanylmethyl]-1,3-thiazole-2-carboxylate

Systemtic Name: ethyl 4-[(4-azanyl-2-chloranyl-phenyl)sulfanylmethyl]-1,3-thiazole-2-carboxylate Openeye Name: ethyl 4-[(4-amino-2-chloro-phenyl)sulfanylmethyl]thiazole-2-carboxylate CAS Name: 4-[[(4-amino-2-chlorophenyl)thio]methyl]-2-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-amino-2-chlorophenyl)sulfanylmethyl]-1,3-thiazole-2-carboxylate Traditional Name: 4-[[(4-amino-2-chloro-phenyl)thio]methyl]thiazole-2-carboxylic acid ethyl ester Formula: C13H13ClN2O2S2 MolecularWeight: 328.83752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=CS1)CSC2=C(C=C(C=C2)N)Cl

Isomeric SMILES

CCOC(=O)C1=NC(=CS1)CSC2=C(C=C(C=C2)N)Cl

InChI

InChI=1S/C13H13ClN2O2S2/c1-2-18-13(17)12-16-9(7-20-12)6-19-11-4-3-8(15)5-10(11)14/h3-5,7H,2,6,15H2,1H3